Geometry & MOs

Info

ID:	67306
PubChem CID:	46506249
Reduced:	FN4O7H25C26 (1)
Stoich.:	AB4C7D25E26 (1)
Weight, g/mol:	524.227099
ΔH_f, kcal/mol:	-257.16
Dipole, Da:	3.86
IP(EA), eV:	-9.04(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC(=O)NC3=CC=C(C=C3)F)CCC(=O)NCC4=CC=CO4)OC

DOS

IR

Vibrations