Geometry & MOs

Info

ID:	67308
PubChem CID:	46506252
Reduced:	FN4O6C27H31 (1)
Stoich.:	AB4C6D27E31 (1)
Weight, g/mol:	528.222014
ΔH_f, kcal/mol:	-275.3
Dipole, Da:	4.1
IP(EA), eV:	-8.85(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]-N-(2-methoxyethyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCC(=O)NC4CCCC4)OC)OC)F

DOS

IR

Vibrations