Geometry & MOs

Info

ID:	414862
PubChem CID:	135087834
Reduced:	O3N6C17H22 (1)
Stoich.:	A3B6C17D22 (1)
Weight, g/mol:	360.114378
ΔH_f, kcal/mol:	-65.12
Dipole, Da:	3.98
IP(EA), eV:	-8.31(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-3-hydroxy-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=NC(=NN3)N

DOS

IR

Vibrations