Geometry & MOs

Info

ID:	218234
PubChem CID:	85089067
Reduced:	ClLiSO5N6C15H22 (1)
Stoich.:	ABCD5E6F15G22 (1)
Weight, g/mol:	440.146697
ΔH_f, kcal/mol:	-220.58
Dipole, Da:	3.05
IP(EA), eV:	-9.05(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol

Drug info:

PubChemData

Smile

[Li+].C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.[Cl-]

DOS

IR

Vibrations