Geometry & MOs

Info

ID:	420069
PubChem CID:	135110985
Reduced:	ClO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	379.108959
ΔH_f, kcal/mol:	-15.64
Dipole, Da:	9.18
IP(EA), eV:	-9.12(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C(=O)N2[C@@H]3CC[C@H]2[C@@](C3)(CC4=CC=CC=C4)C(=O)N(C)C)Cl

DOS

IR

Vibrations