Geometry & MOs

Info

ID:	139518
PubChem CID:	52547618
Reduced:	OS2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	443.077362
ΔH_f, kcal/mol:	25.01
Dipole, Da:	4.14
IP(EA), eV:	-8.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1CSC2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2CC=C

DOS

IR

Vibrations