Geometry & MOs

Info

ID:	271954
PubChem CID:	103704752
Reduced:	OSN2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	282.022977
ΔH_f, kcal/mol:	-0.63
Dipole, Da:	4.98
IP(EA), eV:	-8.95(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methoxyphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CC(C(C)SC1=NC=C(C=C1)C#N)O

DOS

IR

Vibrations