Geometry & MOs

Info

ID:	245033
PubChem CID:	99432191
Reduced:	ClN2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	449.158685
ΔH_f, kcal/mol:	-51.42
Dipole, Da:	3.23
IP(EA), eV:	-8.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)NC3CCOCC3)Cl

DOS

IR

Vibrations