Geometry & MOs

Info

ID:

221783

PubChem CID:

85286139

Reduced:

O2C9H15 (4)

Stoich.:

A2B9C15 (4)

Weight, g/mol:

628.259853

ΔHf, kcal/mol:

-421.55

Dipole, Da:

1.85

IP(EA), eV:

 -9.18(0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-6-[5-(4-ethylpiperazin-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

CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC(C3(C)CCC(=O)OC)C(=C)C)C)OC4C(C(C(CO4)O)O)O)C)O)C

DOS

IR

Vibrations