Geometry & MOs

Info

ID:	24712
PubChem CID:	612539
Reduced:	OSF3N3H18C20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	405.112268
ΔH_f, kcal/mol:	-145.65
Dipole, Da:	8.83
IP(EA), eV:	-9.23(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C#N

DOS

IR

Vibrations