Geometry & MOs

Info

ID:	269757
PubChem CID:	103618950
Reduced:	BrIN2O2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	327.989625
ΔH_f, kcal/mol:	-24.48
Dipole, Da:	4.62
IP(EA), eV:	-8.6(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CCCN1C=C(C=CC1=O)NC(=O)C2=C(C=CC(=C2)Br)I

DOS

IR

Vibrations