Geometry & MOs

Info

ID:	423582
PubChem CID:	135119769
Reduced:	SO6N7C30H43 (1)
Stoich.:	AB6C7D30E43 (1)
Weight, g/mol:	367.178358
ΔH_f, kcal/mol:	-233.2
Dipole, Da:	9.21
IP(EA), eV:	-9.02(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-3-hydroxy-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CSC(=N3)N)C(C)C

DOS

IR

Vibrations