Geometry & MOs

Info

ID:	158277
PubChem CID:	56463280
Reduced:	N2S2O5C19H28 (1)
Stoich.:	A2B2C5D19E28 (1)
Weight, g/mol:	409.093012
ΔH_f, kcal/mol:	-207.77
Dipole, Da:	4.27
IP(EA), eV:	-9.22(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations