Geometry & MOs

Info

ID:	55719
PubChem CID:	17396101
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	432.135508
ΔH_f, kcal/mol:	-41.97
Dipole, Da:	5.24
IP(EA), eV:	-8.43(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-yl)-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations