Geometry & MOs

Info

ID:	282443
PubChem CID:	103927078
Reduced:	NSO4C15H23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-183.27
Dipole, Da:	4.7
IP(EA), eV:	-9.95(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,3-dimethyl-2-[(4-methylpiperidine-4-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(=O)O)C(C)(C)C

DOS

IR

Vibrations