Geometry & MOs

Info

ID:	279178
PubChem CID:	103841875
Reduced:	BrClON2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	332.95898
ΔH_f, kcal/mol:	-32.95
Dipole, Da:	4.8
IP(EA), eV:	-8.92(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(thian-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1CN(CCC1NC(=O)C2=CC(=C(C=C2)Cl)Br)C

DOS

IR

Vibrations