Geometry & MOs

Info

ID:	277188
PubChem CID:	103827204
Reduced:	BrClON2H8C11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	350.96954
ΔH_f, kcal/mol:	34.76
Dipole, Da:	3.76
IP(EA), eV:	-8.95(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CN(C=C1)NC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations