Geometry & MOs

Info

ID:	87266
PubChem CID:	49893501
Reduced:	SN2O5H20C25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	477.099457
ΔH_f, kcal/mol:	-44.58
Dipole, Da:	5.02
IP(EA), eV:	-9.3(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations