Geometry & MOs

Info

ID:	193044
PubChem CID:	78337580
Reduced:	O5N6C23H24 (1)
Stoich.:	A5B6C23D24 (1)
Weight, g/mol:	464.98217
ΔH_f, kcal/mol:	-49.69
Dipole, Da:	2.47
IP(EA), eV:	-9.36(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2,4-dioxo-4aH-quinazolin-3-yl)iminomethyl]-2-iodophenoxy]acetic acid

Drug info:

PubChemData

Smile

CCN1C=NC2C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=C(C=C(C=C4)C)[N+](=O)[O-]

DOS

IR

Vibrations