Geometry & MOs

Info

ID:	21102
PubChem CID:	587198
Reduced:	ClOSN3F6H14C19 (1)
Stoich.:	ABCD3E6F14G19 (1)
Weight, g/mol:	481.04503
ΔH_f, kcal/mol:	-286.52
Dipole, Da:	5.1
IP(EA), eV:	-9.41(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C3=CC(=CC=C3)Cl)C#N

DOS

IR

Vibrations