Geometry & MOs

Info

ID:	67318
PubChem CID:	46506265
Reduced:	ClN4O7H25C26 (1)
Stoich.:	AB4C7D25E26 (1)
Weight, g/mol:	544.172477
ΔH_f, kcal/mol:	-220.94
Dipole, Da:	6.29
IP(EA), eV:	-9.1(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(3-chloroanilino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]-N-(oxolan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC(=O)NC3=CC(=CC=C3)Cl)CCC(=O)NCC4=CC=CO4)OC

DOS

IR

Vibrations