Geometry & MOs

Info

ID:	123643
PubChem CID:	50857591
Reduced:	NOSH7C8 (2)
Stoich.:	ABCD7E8 (2)
Weight, g/mol:	313.088498
ΔH_f, kcal/mol:	-0.19
Dipole, Da:	8.32
IP(EA), eV:	-8.52(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CN1C2=CC=C(C=C2)OC)/C=C\3/C(=O)NC(=S)S3

DOS

IR

Vibrations