Geometry & MOs

Info

ID:

234154

PubChem CID:

92297831

Reduced:

SO2N5H23C29 (1)

Stoich.:

AB2C5D23E29 (1)

Weight, g/mol:

567.20142

ΔHf, kcal/mol:

101.85

Dipole, Da:

7.56

IP(EA), eV:

 -8.37(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-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=C1OCCN2C=C(C3=CC=CC=C32)/C=C(/C#N)\C4=NN=C(S4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations