Geometry & MOs

Info

ID:	62953
PubChem CID:	26737770
Reduced:	FSN3O3H14C18 (1)
Stoich.:	ABC3D3E14F18 (1)
Weight, g/mol:	383.057592
ΔH_f, kcal/mol:	-20.94
Dipole, Da:	8.75
IP(EA), eV:	-9.55(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(2-methyl-3-nitrophenyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CC2=CSC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations