Geometry & MOs

Info

ID:	188481
PubChem CID:	77723562
Reduced:	SF2N3O5C16H19 (1)
Stoich.:	AB2C3D5E16F19 (1)
Weight, g/mol:	295.149619
ΔH_f, kcal/mol:	-295.68
Dipole, Da:	4.62
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-fluoro-3-(3-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C(=C2)F)N3CCSCC3(O)O)F

DOS

IR

Vibrations