Geometry & MOs

Info

ID:	234080
PubChem CID:	92297677
Reduced:	SO3N6C28H36 (1)
Stoich.:	AB3C6D28E36 (1)
Weight, g/mol:	550.236225
ΔH_f, kcal/mol:	-74.19
Dipole, Da:	4.52
IP(EA), eV:	-8.14(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-N-[(1R)-1-[4-(dimethylamino)phenyl]-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5-N-(2,3-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide

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

CC1=C(C(=CC=C1)N([C@H](C2=CC=C(C=C2)N(C)C)C(=O)NCCC(C)C)C(=O)C3=C(C(=NS3)C(=O)N)N)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

CC1=C(C(=CC=C1)N([C@H](C2=CC=C(C=C2)N(C)C)C(=O)NCCC(C)C)C(=O)C3=C(C(=NS3)C(=O)N)N)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):