Geometry & MOs

Info

ID:

192598

PubChem CID:

78289713

Reduced:

N3O4C15H16 (1)

Stoich.:

A3B4C15D16 (1)

Weight, g/mol:

466.088469

ΔHf, kcal/mol:

-68.18

Dipole, Da:

6.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.921374

Charge, e:

 0

Chem-info

IUPAC name:

1-(2,3-dichlorophenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

DOS

IR

Vibrations