Geometry & MOs

Info

ID:	417430
PubChem CID:	135093828
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	391.085636
ΔH_f, kcal/mol:	-116.19
Dipole, Da:	4.93
IP(EA), eV:	-8.79(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C4=CC(=NC(=N4)OC)OC)OCC2

DOS

IR

Vibrations