Geometry & MOs

Info

ID:	420834
PubChem CID:	135114905
Reduced:	ClNO2C18H24 (1)
Stoich.:	ABC2D18E24 (1)
Weight, g/mol:	387.150429
ΔH_f, kcal/mol:	-98.27
Dipole, Da:	5.66
IP(EA), eV:	-9.16(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-3-hydroxy-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)C(=O)N2CCC[C@@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations