Geometry & MOs

Info

ID:	245292
PubChem CID:	99443259
Reduced:	FS2N3O3C18H20 (1)
Stoich.:	AB2C3D3E18F20 (1)
Weight, g/mol:	460.094906
ΔH_f, kcal/mol:	-108.8
Dipole, Da:	9.19
IP(EA), eV:	-9.23(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzylsulfanylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C#N)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C(C)C)F)C

DOS

IR

Vibrations