Geometry & MOs

Info

ID:	68945
PubChem CID:	46513422
Reduced:	SN2F3O4H17C19 (1)
Stoich.:	AB2C3D4E17F19 (1)
Weight, g/mol:	424.125692
ΔH_f, kcal/mol:	-241.74
Dipole, Da:	2.29
IP(EA), eV:	-8.36(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl(phenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)COCC(F)(F)F)OC

DOS

IR

Vibrations