Geometry & MOs

Info

ID:	68569
PubChem CID:	46508664
Reduced:	ClN2S2O3C21H27 (1)
Stoich.:	AB2C2D3E21F27 (1)
Weight, g/mol:	335.184506
ΔH_f, kcal/mol:	-101.66
Dipole, Da:	7.55
IP(EA), eV:	-9.14(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CN(CC2=CC=CS2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations