Geometry & MOs

Info

ID:

335104

PubChem CID:

127253910

Reduced:

N3O3C30H35 (1)

Stoich.:

A3B3C30D35 (1)

Weight, g/mol:

743.224572

ΔHf, kcal/mol:

-79.3

Dipole, Da:

8.95

IP(EA), eV:

 -8.12(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-7-chloro-4,6-dimethoxy-5'-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-1',3',8'-trimethylspiro[1-benzofuran-2,7'-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline]-2',3,4',6'-tetrone

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C2C3=CN(C4=CC=CC(=C43)NC5=C2C(=O)N(C5)C(=O)C)C

DOS

IR

Vibrations