Geometry & MOs

Info

ID:

334872

PubChem CID:

127253678

Reduced:

N5O6C37H45 (1)

Stoich.:

A5B6C37D45 (1)

Weight, g/mol:

458.136553

ΔHf, kcal/mol:

-155.67

Dipole, Da:

6.66

IP(EA), eV:

 -8.71(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCCN1C(=NC2=CC=CC=C21)C)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations