Geometry & MOs

Info

ID:	67314
PubChem CID:	46506260
Reduced:	N4O6C29H34 (1)
Stoich.:	A4B6C29D34 (1)
Weight, g/mol:	536.190714
ΔH_f, kcal/mol:	-216.0
Dipole, Da:	9.76
IP(EA), eV:	-8.57(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC(=O)N3CCCC4=CC=CC=C43)CCC(=O)NC5CCCC5)OC

DOS

IR

Vibrations