Geometry & MOs

Info

ID:

128001

PubChem CID:

51026131

Reduced:

N2O9C37H44 (1)

Stoich.:

A2B9C37D44 (1)

Weight, g/mol:

380.069448

ΔHf, kcal/mol:

-293.54

Dipole, Da:

4.4

IP(EA), eV:

 -8.07(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C([C@H]3/C(=C\C4=CC(=C(C(=C4OC)C)OC)OC)/N(C(=O)[C@H](C2)N3C(=O)OC(C)C)CC5=CC=CC=C5)C(=C1OC)OC)OC

DOS

IR

Vibrations