Geometry & MOs

Info

ID:	67307
PubChem CID:	46506251
Reduced:	N4O7C27H32 (1)
Stoich.:	A4B7C27D32 (1)
Weight, g/mol:	526.222763
ΔH_f, kcal/mol:	-254.03
Dipole, Da:	8.11
IP(EA), eV:	-8.66(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCC(=O)NC4CCCC4)OC)OC

DOS

IR

Vibrations