Geometry & MOs

Info

ID:

163796

PubChem CID:

74380323

Reduced:

SN6O9C36H50 (1)

Stoich.:

AB6C9D36E50 (1)

Weight, g/mol:

427.08954

ΔHf, kcal/mol:

-331.76

Dipole, Da:

6.32

IP(EA), eV:

 -9.58(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(4-bromophenyl)methylamino]-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-4a,5,6,7,8,8a-hexahydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)COC(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)OC(=O)N5CC6=C(C5)C=NC=C6

DOS

IR

Vibrations