Geometry & MOs

Info

ID:

234155

PubChem CID:

92297833

Reduced:

O2S2N3C33H33 (1)

Stoich.:

A2B2C3D33E33 (1)

Weight, g/mol:

567.20142

ΔHf, kcal/mol:

14.66

Dipole, Da:

7.89

IP(EA), eV:

 -8.44(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-5-cyano-6-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(NC(=C([C@@H]2C3=CC=CS3)C#N)SCC(=O)C4=CC=C(C=C4)C5CCCCC5)C

DOS

IR

Vibrations