Geometry & MOs

Info

ID:	9476
PubChem CID:	89822
Reduced:	BrClNO2F3H12C17 (1)
Stoich.:	ABCD2E3F12G17 (1)
Weight, g/mol:	432.9692
ΔH_f, kcal/mol:	-190.73
Dipole, Da:	5.39
IP(EA), eV:	-10.13(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzoyl-4-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)N(CC(F)(F)F)C(=O)CBr

DOS

IR

Vibrations