Geometry & MOs

Info

ID:	70865
PubChem CID:	48413974
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	369.105959
ΔH_f, kcal/mol:	-82.79
Dipole, Da:	9.39
IP(EA), eV:	-9.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations