Geometry & MOs

Info

ID:	319335
PubChem CID:	126655685
Reduced:	N2S3C5H14 (1)
Stoich.:	A2B3C5D14 (1)
Weight, g/mol:	574.14171
ΔH_f, kcal/mol:	12.15
Dipole, Da:	2.45
IP(EA), eV:	-8.7(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-chlorophenyl)-[3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-2H-indazol-5-yl]methyl]phenyl]ethenamine

Drug info:

PubChemData

Smile

CSSCCNNCCS

DOS

IR

Vibrations