Geometry & MOs

Info

ID:	280100
PubChem CID:	103846867
Reduced:	ClSN3O4C10H12 (1)
Stoich.:	ABC3D4E10F12 (1)
Weight, g/mol:	345.01312
ΔH_f, kcal/mol:	-47.81
Dipole, Da:	4.57
IP(EA), eV:	-8.2(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-chloro-N-(2,2-dimethyloxan-4-yl)benzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=NC=C1[N+](=O)[O-])Cl)S(=O)C

DOS

IR

Vibrations