Geometry & MOs

Info

ID:	154468
PubChem CID:	56313911
Reduced:	FN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	462.098033
ΔH_f, kcal/mol:	-45.41
Dipole, Da:	3.9
IP(EA), eV:	-9.38(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chloro-4-fluorobenzoyl)amino]-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CN1C=CC2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F

DOS

IR

Vibrations