Geometry & MOs

Info

ID:	226251
PubChem CID:	87350231
Reduced:	ON3H27C30 (1)
Stoich.:	AB3C27D30 (1)
Weight, g/mol:	334.113984
ΔH_f, kcal/mol:	46.9
Dipole, Da:	5.79
IP(EA), eV:	-8.59(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-methylpyridin-4-yl)phenyl]-2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(C)C(=O)NC2=CC=C(C=C2)C3=CC(=NC=C3)C)C4=CC5=C(C=C4)NC=C5

DOS

IR

Vibrations