Geometry & MOs

Info

ID:	170103
PubChem CID:	75197569
Reduced:	N3O4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	389.014013
ΔH_f, kcal/mol:	-78.99
Dipole, Da:	3.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.055448
Charge, e:	0

Chem-info

IUPAC name:

2-[2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CC[N+]1=C2C=CC(=CC2=NC(=O)C1=O)C(=O)NC(C)C3=CC=C(O3)C

DOS

IR

Vibrations