Geometry & MOs

Info

ID:	193008
PubChem CID:	78337134
Reduced:	N4O5H22C25 (1)
Stoich.:	A4B5C22D25 (1)
Weight, g/mol:	418.031626
ΔH_f, kcal/mol:	-57.9
Dipole, Da:	5.75
IP(EA), eV:	-8.64(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-4-[(2,4-dioxo-4aH-quinazolin-3-yl)iminomethyl]-6-nitrophenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)COC2=C(C=CC=C2OC)C=NN3C(=O)C4C=CC=CC4=NC3=O

DOS

IR

Vibrations