Geometry & MOs

Info

ID:

335131

PubChem CID:

127253992

Reduced:

ON4C18H24 (1)

Stoich.:

AB4C18D24 (1)

Weight, g/mol:

599.127084

ΔHf, kcal/mol:

-1.73

Dipole, Da:

6.73

IP(EA), eV:

 -9.19(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,8'R)-7-chloro-5'-(3,4-difluorophenyl)-4,6-dimethoxy-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

CC1=C(C(=NN1)C)CCC(=O)N2CCCC[C@H]2C3=CN=CC=C3

DOS

IR

Vibrations