Geometry & MOs

Info

ID:	140909
PubChem CID:	52782569
Reduced:	FSN2O3C20H21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	386.110042
ΔH_f, kcal/mol:	-77.01
Dipole, Da:	5.77
IP(EA), eV:	-9.87(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-3-(prop-2-enylsulfamoyl)-N-prop-2-ynylbenzamide

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N(CC#C)CC2=CC=C(C=C2)F

DOS

IR

Vibrations