Geometry & MOs

Info

ID:	272907
PubChem CID:	103764917
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	330.99747
ΔH_f, kcal/mol:	-49.92
Dipole, Da:	8.58
IP(EA), eV:	-9.71(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-chloro-N-(oxan-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCC1(CCCC1)CNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations