Geometry & MOs

Info

ID:	67316
PubChem CID:	46506263
Reduced:	FN4O7C27H27 (1)
Stoich.:	AB4C7D27E27 (1)
Weight, g/mol:	538.242749
ΔH_f, kcal/mol:	-261.97
Dipole, Da:	7.91
IP(EA), eV:	-8.87(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

DOS

IR

Vibrations