Geometry & MOs

Info

ID:

193815

PubChem CID:

78441254

Reduced:

NO5H18C19 (1)

Stoich.:

AB5C18D19 (1)

Weight, g/mol:

484.214427

ΔHf, kcal/mol:

-157.5

Dipole, Da:

4.46

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758684

Charge, e:

 0

Chem-info

IUPAC name:

N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CCC(C(=O)[O-])NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations