Geometry & MOs

Info

ID:	131431
PubChem CID:	51204503
Reduced:	SN2O7C17H20 (1)
Stoich.:	AB2C7D17E20 (1)
Weight, g/mol:	357.09396
ΔH_f, kcal/mol:	-157.1
Dipole, Da:	8.7
IP(EA), eV:	-8.76(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4,5-diethoxyphenyl)-N-butan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)OC)OC)NS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations