Geometry & MOs

Info

ID:	47199
PubChem CID:	10530608
Reduced:	N3O6C30H47 (1)
Stoich.:	A3B6C30D47 (1)
Weight, g/mol:	545.271213
ΔH_f, kcal/mol:	-316.32
Dipole, Da:	7.29
IP(EA), eV:	-9.48(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-[[cyclohexylmethyl(pyridin-3-yl)amino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid

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)OCC1=CC=CC=C1)NC(=O)[C@@H](CC(C)(C)C)NC(=O)[C@@H]2CCCN2C(=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)OCC1=CC=CC=C1)NC(=O)[C@@H](CC(C)(C)C)NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):