Geometry & MOs

Info

ID:	124988
PubChem CID:	50906368
Reduced:	SN3O4C36H49 (1)
Stoich.:	AB3C4D36E49 (1)
Weight, g/mol:	393.037247
ΔH_f, kcal/mol:	-132.48
Dipole, Da:	7.42
IP(EA), eV:	-8.81(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carbothioamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)C(=O)N(C2CCC(CC2)OC3=CC(=NC=C3)CC4CCNCC4)C5=C(SC(=C5)C#CC(C)(C)C)C(=O)O

DOS

IR

Vibrations