Geometry & MOs

Info

ID:

334714

PubChem CID:

127253389

Reduced:

N3O8C33H37 (1)

Stoich.:

A3B8C33D37 (1)

Weight, g/mol:

444.204907

ΔHf, kcal/mol:

-232.73

Dipole, Da:

9.51

IP(EA), eV:

 -8.21(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[3-(furan-2-yl)-4-phenylbutyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)NCC4=CC5=C(C=C4)OCO5)OC)OC)OC

DOS

IR

Vibrations