Geometry & MOs

Info

ID:	156500
PubChem CID:	56370879
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	487.214092
ΔH_f, kcal/mol:	-57.99
Dipole, Da:	1.25
IP(EA), eV:	-8.98(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1,3-benzodioxol-5-ylmethyl-(2,3-dimethylcyclohexyl)amino]-N-(4-sulfamoylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCCCN1CC2=CC=C(C=C2)N3C=CC=N3

DOS

IR

Vibrations