Geometry & MOs

Info

ID:

334978

PubChem CID:

127253784

Reduced:

ClN4O7C22H23 (1)

Stoich.:

AB4C7D22E23 (1)

Weight, g/mol:

674.177956

ΔHf, kcal/mol:

-183.7

Dipole, Da:

1.67

IP(EA), eV:

 -8.88(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-7-chloro-4,6-dimethoxy-5'-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-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

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC(=O)NCC4=NC(=NO4)C

DOS

IR

Vibrations