Geometry & MOs

Info

ID:	415934
PubChem CID:	135088936
Reduced:	NO5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	407.036099
ΔH_f, kcal/mol:	-209.39
Dipole, Da:	5.05
IP(EA), eV:	-9.28(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-(cyclopropylmethyl)-1-(2,3-dichlorophenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@H]1C(=O)O)O)C(=O)CC2=CC=C(C=C2)O

DOS

IR

Vibrations