Geometry & MOs

Info

ID:	226249
PubChem CID:	87350227
Reduced:	BrON2H15C21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	426.04015
ΔH_f, kcal/mol:	60.24
Dipole, Da:	2.37
IP(EA), eV:	-8.95(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=NC3=C(C=C2)C=C(C=C3)C4=NC(=CC=C4)Br

DOS

IR

Vibrations