Geometry & MOs

Info

ID:

221643

PubChem CID:

85285809

Reduced:

NO7C34H37 (1)

Stoich.:

AB7C34D37 (1)

Weight, g/mol:

580.283175

ΔHf, kcal/mol:

-231.9

Dipole, Da:

1.41

IP(EA), eV:

 -8.73(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-benzyl-6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-4,4a,5,6,7,8a,9,9a-octahydro-3aH-imidazo[4,5-g]quinazolin-8-one

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C(CN1C(=O)OCC2=CC=CC=C2)C(=C)C3=CC=C(C=C3)OCCC4=CC=CC=C4)CC(=O)OC

DOS

IR

Vibrations