Geometry & MOs

Info

ID:	37610
PubChem CID:	8022597
Reduced:	SN2O6C17H22 (1)
Stoich.:	AB2C6D17E22 (1)
Weight, g/mol:	410.151158
ΔH_f, kcal/mol:	-236.75
Dipole, Da:	8.86
IP(EA), eV:	-10.07(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(3S)-1-(4-acetylphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations