Geometry & MOs

Info

ID:	182100
PubChem CID:	76841200
Reduced:	FSN2O2H21C23 (1)
Stoich.:	ABC2D2E21F23 (1)
Weight, g/mol:	462.229873
ΔH_f, kcal/mol:	-31.25
Dipole, Da:	7.23
IP(EA), eV:	-8.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-2,3a-dihydroindazol-3-ylidene)-5-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]benzimidazole

Drug info:

PubChemData

Smile

CC12CC3=C(C=C1CCC2S(=O)(=O)C4=CC=CC=C4)N(N=C3)C5=CC=C(C=C5)F

DOS

IR

Vibrations