Geometry & MOs

Info

ID:	174577
PubChem CID:	75788157
Reduced:	NSO5C24H27 (1)
Stoich.:	ABC5D24E27 (1)
Weight, g/mol:	401.109707
ΔH_f, kcal/mol:	-152.59
Dipole, Da:	6.55
IP(EA), eV:	-8.88(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC4=C(O3)C=CC(=C4)C

DOS

IR

Vibrations