Geometry & MOs

Info

ID:	234151
PubChem CID:	92297826
Reduced:	OSN6H28C31 (1)
Stoich.:	ABC6D28E31 (1)
Weight, g/mol:	527.0667
ΔH_f, kcal/mol:	146.38
Dipole, Da:	7.68
IP(EA), eV:	-9.1(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=O)N2)[C@H](C3=NN=NN3CC4=CC=CC=C4)N(CC5=CC=CC=C5)CC6=CC=CS6

DOS

IR

Vibrations