Geometry & MOs

Info

ID:	416144
PubChem CID:	135089152
Reduced:	SN2O3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	382.999714
ΔH_f, kcal/mol:	-87.83
Dipole, Da:	5.56
IP(EA), eV:	-9.8(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)S(=O)(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations