Geometry & MOs

Info

ID:	195154
PubChem CID:	78644761
Reduced:	ON2S2F3H15C19 (1)
Stoich.:	AB2C2D3E15F19 (1)
Weight, g/mol:	414.139548
ΔH_f, kcal/mol:	-97.74
Dipole, Da:	5.36
IP(EA), eV:	-8.9(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylcarbamoyl)-2-[5-(dimethylsulfamoyl)pyridin-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CSC(=CC1=CC(=CC=C1)C(F)(F)F)C2=NC(=O)C3C4=C(CCC4)SC3=N2

DOS

IR

Vibrations