Geometry & MOs

Info

ID:	73192
PubChem CID:	48417174
Reduced:	SO3N5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	366.069908
ΔH_f, kcal/mol:	-34.94
Dipole, Da:	2.51
IP(EA), eV:	-9.3(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(4-fluorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations