Geometry & MOs

Info

ID:	141699
PubChem CID:	52918308
Reduced:	ClIPN2O5C17H19 (1)
Stoich.:	ABCD2E5F17G19 (1)
Weight, g/mol:	475.190734
ΔH_f, kcal/mol:	-154.92
Dipole, Da:	3.81
IP(EA), eV:	-9.05(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methoxypropyl)benzamide

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC=C(C=C1)Cl)NC2=C(C=C(C=C2)I)[N+](=O)[O-])OCC

DOS

IR

Vibrations