Geometry & MOs

Info

ID:	422033
PubChem CID:	135117042
Reduced:	FO2N5C21H28 (1)
Stoich.:	AB2C5D21E28 (1)
Weight, g/mol:	343.108959
ΔH_f, kcal/mol:	-4.76
Dipole, Da:	2.43
IP(EA), eV:	-9.45(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(3-ethyl-4-methoxyphenyl)sulfonyl-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=NNC(=C1)CN2C[C@@H]3CN(C[C@H]2COC3)C(=O)C4=C(C=NC=C4)F

DOS

IR

Vibrations