Geometry & MOs

Info

ID:	277138
PubChem CID:	103826931
Reduced:	BrClNOF3H10C12 (1)
Stoich.:	ABCDE3F10G12 (1)
Weight, g/mol:	346.97463
ΔH_f, kcal/mol:	-164.06
Dipole, Da:	3.22
IP(EA), eV:	-10.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-(thian-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CC1N(CC(F)(F)F)C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations