Geometry & MOs

Info

ID:	418301
PubChem CID:	135104101
Reduced:	NSO3C20H31 (1)
Stoich.:	ABC3D20E31 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-151.26
Dipole, Da:	7.06
IP(EA), eV:	-9.4(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations