Geometry & MOs

Info

ID:	135164
PubChem CID:	51827206
Reduced:	ClNO2C14H18 (2)
Stoich.:	ABC2D14E18 (2)
Weight, g/mol:	394.192629
ΔH_f, kcal/mol:	-165.03
Dipole, Da:	7.99
IP(EA), eV:	-8.67(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-(butylamino)-2-oxoethyl]-N-tert-butyl-3-sulfanylpropanamide

Drug info:

PubChemData

Smile

CC(C)(C)N([C@@H](C1=CC(=C(C=C1)OC)OC)C(=O)NC2CCCCC2)C(=O)CC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations