Geometry & MOs

Info

ID:	422417
PubChem CID:	135117800
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	369.124609
ΔH_f, kcal/mol:	16.6
Dipole, Da:	3.48
IP(EA), eV:	-9.31(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-(cyclopropylmethyl)-4-hydroxy-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations