Geometry & MOs

Info

ID:	431974
PubChem CID:	135172102
Reduced:	SO2N4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	403.283492
ΔH_f, kcal/mol:	-50.36
Dipole, Da:	3.9
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-[(2-oxopiperidin-4-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NC2=NN=CS2

DOS

IR

Vibrations