Geometry & MOs

Info

ID:	419071
PubChem CID:	135107433
Reduced:	N3O4C15H21 (1)
Stoich.:	A3B4C15D21 (1)
Weight, g/mol:	367.004799
ΔH_f, kcal/mol:	-150.08
Dipole, Da:	7.63
IP(EA), eV:	-9.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CO1)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)C(=O)O

DOS

IR

Vibrations