Geometry & MOs

Info

ID:	418491
PubChem CID:	135105213
Reduced:	SN3O4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	379.178358
ΔH_f, kcal/mol:	-116.01
Dipole, Da:	9.3
IP(EA), eV:	-8.5(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-3-hydroxy-1-(1-phenylcyclopropanecarbonyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=O)C=C(N1)CNC(=O)CCSC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations