Geometry & MOs

Info

ID:

334472

PubChem CID:

127253147

Reduced:

N3O6H23C28 (1)

Stoich.:

A3B6C23D28 (1)

Weight, g/mol:

653.177622

ΔHf, kcal/mol:

-82.97

Dipole, Da:

10.41

IP(EA), eV:

 -9.38(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-7-chloro-4,6-dimethoxy-1',3',8'-trimethyl-5'-(2,3,4-trimethoxyphenyl)spiro[1-benzofuran-2,7'-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline]-2',3,4',6'-tetrone

Drug info:

PubChemData

Smile

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3C[C@H]4C[C@@H](C3)C5=CC=C(C(=O)N5C4)[N+](=O)[O-])C6=CC=CC=C6

DOS

IR

Vibrations