Geometry & MOs

Info

ID:	37613
PubChem CID:	8022605
Reduced:	SN2O5C15H20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	381.148418
ΔH_f, kcal/mol:	-192.52
Dipole, Da:	12.41
IP(EA), eV:	-9.96(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S,3R)-2-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-methylpentanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations