Geometry & MOs

Info

ID:	214484
PubChem CID:	85083112
Reduced:	N3O3C33H53 (1)
Stoich.:	A3B3C33D53 (1)
Weight, g/mol:	539.137686
ΔH_f, kcal/mol:	-177.01
Dipole, Da:	4.58
IP(EA), eV:	-8.74(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)CC(C(CC(CC1=CC(=C(C=C1)C(C)(C)C)OCC2=CC=CC=C2N)C(C)C)N)O

DOS

IR

Vibrations