Geometry & MOs

Info

ID:

163029

PubChem CID:

57581414

Reduced:

N3O7C36H41 (1)

Stoich.:

A3B7C36D41 (1)

Weight, g/mol:

492.204907

ΔHf, kcal/mol:

-224.52

Dipole, Da:

9.16

IP(EA), eV:

 -8.69(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-6-phenyl-1H-pyridin-2-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=NC3=CC=CC=C3C(=C2)C4=CC=C(C=C4)OCCNC(=O)OC(C)(C)C)OCC

DOS

IR

Vibrations