Geometry & MOs

Info

ID:	234099
PubChem CID:	92297717
Reduced:	N3O3C10H13 (1)
Stoich.:	A3B3C10D13 (1)
Weight, g/mol:	541.08235
ΔH_f, kcal/mol:	-29.26
Dipole, Da:	2.74
IP(EA), eV:	-10.11(-0.67)
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-(2,6-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

C[C@H](NC(=O)C1=CC=CC=C1)N(C)[N+](=O)[O-]

DOS

IR

Vibrations