Geometry & MOs

Info

ID:	131704
PubChem CID:	51248122
Reduced:	FO2N5H18C20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-14.02
Dipole, Da:	4.06
IP(EA), eV:	-9.0(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3C(=O)NCC=C

DOS

IR

Vibrations