Geometry & MOs

Info

ID:	168333
PubChem CID:	74953666
Reduced:	FSN3O4C30H32 (1)
Stoich.:	ABC3D4E30F32 (1)
Weight, g/mol:	433.183541
ΔH_f, kcal/mol:	-92.56
Dipole, Da:	4.09
IP(EA), eV:	-8.94(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)methanesulfonamide

Drug info:

PubChemData

Smile

CC12CC3=C(C=C1CCC2CN(CC4CC4)S(=O)(=O)C5=CC=CC=C5C(=O)OC)N(N=C3)C6=CC=C(C=C6)F

DOS

IR

Vibrations