Geometry & MOs

Info

ID:

57599

PubChem CID:

22425904

Reduced:

FOSN5H28C29 (1)

Stoich.:

ABCD5E28F29 (1)

Weight, g/mol:

496.214427

ΔHf, kcal/mol:

38.08

Dipole, Da:

6.73

IP(EA), eV:

 -8.43(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3-methoxyphenyl)-8,8-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CSC2=NC3=NC(=C(C(N3N2)C4=CC=C(C=C4)F)C(=O)NC5=C(C=C(C=C5)C)C)C

DOS

IR

Vibrations