Geometry & MOs

Info

ID:	178582
PubChem CID:	76353165
Reduced:	SF3O3N4H15C22 (1)
Stoich.:	AB3C3D4E15F22 (1)
Weight, g/mol:	385.044103
ΔH_f, kcal/mol:	-130.5
Dipole, Da:	5.11
IP(EA), eV:	-8.59(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[1-oxo-1-[[2-oxo-5-(trifluoromethyl)pyridin-3-ylidene]amino]propan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)N=C3C=C(C=NC3=O)C(F)(F)F)NC(=O)C4=CC=CS4

DOS

IR

Vibrations