Geometry & MOs

Info

ID:

334720

PubChem CID:

127253395

Reduced:

N3O5H21C24 (1)

Stoich.:

A3B5C21D24 (1)

Weight, g/mol:

625.20603

ΔHf, kcal/mol:

-67.96

Dipole, Da:

3.22

IP(EA), eV:

 -8.4(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3'E)-3'-[hydroxy-(4-methoxyphenyl)methylidene]-1'-(2-hydroxyphenyl)-8,9-dimethoxy-5,5-dimethyl-3,4',5'-trioxospiro[6H-pyrrolo[2,1-a]isoquinoline-2,2'-pyrrolidine]-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCN2C3=C(C4=C(C2=O)C(=C(C=C4)OC)OC)C(=O)C5=CC=CC=C53

DOS

IR

Vibrations