Geometry & MOs

Info

ID:	38107
PubChem CID:	8027048
Reduced:	SN3O3C18H19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	409.143784
ΔH_f, kcal/mol:	-59.32
Dipole, Da:	3.93
IP(EA), eV:	-9.15(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

COCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CC3=CC=CS3

DOS

IR

Vibrations