Geometry & MOs

Info

ID:	122852
PubChem CID:	50824472
Reduced:	SF2N3O4H19C23 (1)
Stoich.:	AB2C3D4E19F23 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-189.51
Dipole, Da:	2.31
IP(EA), eV:	-8.95(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-propoxy-5-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C(=C2)NC(=O)CC3=CC(=CC=C3)F)S(=O)(=O)C4=CC=C(C=C4)F)N(C1=O)C

DOS

IR

Vibrations