Geometry & MOs

Info

ID:	158194
PubChem CID:	56463139
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	411.047812
ΔH_f, kcal/mol:	-65.47
Dipole, Da:	4.59
IP(EA), eV:	-8.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC(=NC2=C1C=NN2C(C)C)C3=CC=C(C=C3)C

DOS

IR

Vibrations