Geometry & MOs

Info

ID:	123642
PubChem CID:	50857579
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	330.04967
ΔH_f, kcal/mol:	-65.34
Dipole, Da:	8.19
IP(EA), eV:	-9.1(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CN1C2=CC=CC=C2)C=C3C(=O)N(C(=O)N(C3=O)C)C

DOS

IR

Vibrations