Geometry & MOs

Info

ID:	62274
PubChem CID:	26718874
Reduced:	ClN3O3H16C20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	432.171893
ΔH_f, kcal/mol:	-9.76
Dipole, Da:	5.45
IP(EA), eV:	-8.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1/C=C/C(=O)NC2=CC3=C(C=C2)OCO3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations