Geometry & MOs

Info

ID:	234147
PubChem CID:	92297819
Reduced:	FO2N6C31H31 (1)
Stoich.:	AB2C6D31E31 (1)
Weight, g/mol:	527.0667
ΔH_f, kcal/mol:	15.66
Dipole, Da:	3.8
IP(EA), eV:	-9.1(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-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=NN3C[C@H]4CCCO4)N(CC5=CC=CC=C5)CC6=CC=C(C=C6)F

DOS

IR

Vibrations