Geometry & MOs

Info

ID:	187343
PubChem CID:	77561447
Reduced:	N2O9C31H44 (1)
Stoich.:	A2B9C31D44 (1)
Weight, g/mol:	439.11889
ΔH_f, kcal/mol:	-344.31
Dipole, Da:	7.9
IP(EA), eV:	-8.07(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-[1-(2-methoxyethyl)-3-oxo-3a,4,5,6,7,7a-hexahydro-2H-indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(COC)(COC1CN(CC(C1C2=CC=C(C=C2)OC)OCC3=CC4=C(C=C3)OCCN4CCCOC)C(=O)O)O

DOS

IR

Vibrations