Geometry & MOs

Info

ID:

334759

PubChem CID:

127253434

Reduced:

N4O6H16C17 (1)

Stoich.:

A4B6C16D17 (1)

Weight, g/mol:

633.187793

ΔHf, kcal/mol:

-206.45

Dipole, Da:

3.9

IP(EA), eV:

 -9.24(-1.27)

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

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=O)N(C1=O)C)C2=C(NC(=O)N2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations