Geometry & MOs

Info

ID:	67317
PubChem CID:	46506264
Reduced:	N4O7C28H34 (1)
Stoich.:	A4B7C28D34 (1)
Weight, g/mol:	540.141177
ΔH_f, kcal/mol:	-259.38
Dipole, Da:	13.95
IP(EA), eV:	-8.9(-0.82)
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-(furan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCC(=O)NC4CCCC4)OC)OC

DOS

IR

Vibrations