Geometry & MOs

Info

ID:	445383
PubChem CID:	135266670
Reduced:	OF3N4C31H43 (1)
Stoich.:	AB3C4D31E43 (1)
Weight, g/mol:	526.165032
ΔH_f, kcal/mol:	-117.97
Dipole, Da:	6.97
IP(EA), eV:	-8.95(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophen-3-ylmethyl-[[3-[[6-cyano-2-(trifluoromethyl)benzimidazol-1-yl]methyl]cyclohexyl]methyl]carbamic acid

Drug info:

PubChemData

Smile

CC/C=C\C(=C/N=C(C)C(F)(F)F)\CCCCC(C)(CCCOC(=C)C)CN(C)C1=C(C=CC(=C1)C#N)N=C

DOS

IR

Vibrations