Geometry & MOs

Info

ID:	234152
PubChem CID:	92297827
Reduced:	BrOSN3H22C28 (1)
Stoich.:	ABCD3E22F28 (1)
Weight, g/mol:	585.208613
ΔH_f, kcal/mol:	83.43
Dipole, Da:	6.62
IP(EA), eV:	-8.76(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)[C@H](C)SC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N

DOS

IR

Vibrations