Geometry & MOs

Info

ID:

335125

PubChem CID:

127253986

Reduced:

O4N5H21C22 (1)

Stoich.:

A4B5C21D22 (1)

Weight, g/mol:

657.162641

ΔHf, kcal/mol:

-55.55

Dipole, Da:

2.22

IP(EA), eV:

 -9.56(-0.86)

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'-(3-pyrimidin-2-yloxyphenyl)spiro[1-benzofuran-2,7'-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline]-2',3,4',6'-tetrone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC(=N2)CCCNC(=O)C[C@@H]3C(=O)NC4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations