Geometry & MOs

Info

ID:	319764
PubChem CID:	126657241
Reduced:	ClS2N5O9C28H36 (1)
Stoich.:	AB2C5D9E28F36 (1)
Weight, g/mol:	764.209833
ΔH_f, kcal/mol:	-316.5
Dipole, Da:	8.15
IP(EA), eV:	-9.12(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[6-[4-[[(2R)-2-(4-fluorophenyl)propanoyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(2-methoxy-4-methylsulfonylphenyl)carbamoyl]oxysulfanyl (2S)-2-amino-3,3-dimethylbutanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)[C@@H](C(=O)OC(OC(=O)N(C1=C(C=C(C=C1)S(=O)(=O)C)OC)C2=NN3C=C(C=CC3=N2)Cl)SC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)[C@@H](C(=O)OC(OC(=O)N(C1=C(C=C(C=C1)S(=O)(=O)C)OC)C2=NN3C=C(C=CC3=N2)Cl)SC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):