Geometry & MOs

Info

ID:	423239
PubChem CID:	135119157
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	403.085636
ΔH_f, kcal/mol:	-102.66
Dipole, Da:	6.38
IP(EA), eV:	-8.98(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=C(O2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC(=NO4)C

DOS

IR

Vibrations