Geometry & MOs

Info

ID:	67310
PubChem CID:	46506255
Reduced:	N4O7C28H30 (1)
Stoich.:	A4B7C28D30 (1)
Weight, g/mol:	534.211449
ΔH_f, kcal/mol:	-229.0
Dipole, Da:	4.24
IP(EA), eV:	-8.59(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCC(=O)NCC4=CC=CO4)OC)OC)C

DOS

IR

Vibrations