Geometry & MOs

Info

ID:	423871
PubChem CID:	135120554
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	379.049251
ΔH_f, kcal/mol:	-57.72
Dipole, Da:	5.08
IP(EA), eV:	-8.76(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CN(C)C)NC(=O)C1=C(ON=C1N2CCCC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations