Geometry & MOs

Info

ID:	234148
PubChem CID:	92297822
Reduced:	BrOSN3H22C28 (1)
Stoich.:	ABCD3E22F28 (1)
Weight, g/mol:	585.208613
ΔH_f, kcal/mol:	80.61
Dipole, Da:	2.15
IP(EA), eV:	-8.8(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-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