Geometry & MOs

Info

ID:	187069
PubChem CID:	77527992
Reduced:	FO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	563.169737
ΔH_f, kcal/mol:	-68.05
Dipole, Da:	8.96
IP(EA), eV:	-8.68(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-2,4-dioxo-4aH-quinazolin-1-ium-3-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide

Drug info:

PubChemData

Smile

C1COCCN1CCCOC2=NC3=C(N2)C4=C(C=C(C=C4)F)C5C3=CC=NC5=O

DOS

IR

Vibrations