Geometry & MOs

Info

ID:

334449

PubChem CID:

127253001

Reduced:

NO9C25H25 (1)

Stoich.:

AB9C25D25 (1)

Weight, g/mol:

579.20055

ΔHf, kcal/mol:

-283.87

Dipole, Da:

6.05

IP(EA), eV:

 -8.62(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,9S)-5-nitro-11-[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCO2)C(CC(=O)OC)C3=C(C=CC4=C3O/C(=C/N5CCOCC5)/C4=O)O

DOS

IR

Vibrations