Geometry & MOs

Info

ID:

334206

PubChem CID:

127252758

Reduced:

SO4N5H21C24 (1)

Stoich.:

AB4C5D21E24 (1)

Weight, g/mol:

673.193941

ΔHf, kcal/mol:

-73.55

Dipole, Da:

4.06

IP(EA), eV:

 -9.25(-1.22)

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'-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]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=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CCCC(=O)NC5=NC(=CS5)CC(=O)N

DOS

IR

Vibrations