Geometry & MOs

Info

ID:	146037
PubChem CID:	53626442
Reduced:	OSN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	378.083827
ΔH_f, kcal/mol:	16.86
Dipole, Da:	4.52
IP(EA), eV:	-8.84(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-fluorophenyl)sulfanylmethyl]-N-pyridin-3-yl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCCN2CCC(=O)N3CCC4=C(C3)C=CS4

DOS

IR

Vibrations