Geometry & MOs

Info

ID:	419889
PubChem CID:	135109586
Reduced:	O2N4C17H32 (1)
Stoich.:	A2B4C17D32 (1)
Weight, g/mol:	349.038686
ΔH_f, kcal/mol:	-122.03
Dipole, Da:	5.97
IP(EA), eV:	-9.14(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCCNCCCCNC(=O)[C@@H]2C[C@H]1CN2

DOS

IR

Vibrations