Geometry & MOs

Info

ID:	131590
PubChem CID:	51231404
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	285.116507
ΔH_f, kcal/mol:	-48.34
Dipole, Da:	6.75
IP(EA), eV:	-8.5(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCNC(=O)C3CC3

DOS

IR

Vibrations