Geometry & MOs

Info

ID:	174147
PubChem CID:	75730357
Reduced:	SN2O5C25H28 (1)
Stoich.:	AB2C5D25E28 (1)
Weight, g/mol:	432.135508
ΔH_f, kcal/mol:	-145.65
Dipole, Da:	7.63
IP(EA), eV:	-8.82(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-2-[formyl(propyl)amino]-N-[(4-methylphenyl)sulfonylmethyl]acetamide

Drug info:

PubChemData

Smile

CCCN(C=O)C(C1=C(C=CC2=CC=CC=C21)OC)C(=O)NCS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations