Geometry & MOs

Info

ID:	37691
PubChem CID:	8023285
Reduced:	SN2F3O3C19H19 (1)
Stoich.:	AB2C3D3E19F19 (1)
Weight, g/mol:	385.078239
ΔH_f, kcal/mol:	-234.99
Dipole, Da:	6.7
IP(EA), eV:	-9.73(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamothioyl-methylamino]-N-(2,6-dichlorophenyl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations