Geometry & MOs

Info

ID:	226289
PubChem CID:	87350375
Reduced:	ON2F6H16C22 (1)
Stoich.:	AB2C6D16E22 (1)
Weight, g/mol:	424.160935
ΔH_f, kcal/mol:	-299.55
Dipole, Da:	3.99
IP(EA), eV:	-9.13(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-methylpyridin-4-yl)phenyl]-2-[3-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=CC=C(C=C2)NC(=O)CC3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations