Geometry & MOs

Info

ID:	67315
PubChem CID:	46506261
Reduced:	N4O8C27H28 (1)
Stoich.:	A4B8C27D28 (1)
Weight, g/mol:	538.186377
ΔH_f, kcal/mol:	-246.82
Dipole, Da:	8.52
IP(EA), eV:	-8.73(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCC(=O)NCC4=CC=CO4)OC)OC

DOS

IR

Vibrations