Geometry & MOs

Info

ID:	136728
PubChem CID:	52090488
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	415.031289
ΔH_f, kcal/mol:	-39.14
Dipole, Da:	6.57
IP(EA), eV:	-8.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]-6-methyl-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=NN2[C@H]3CCS(=O)(=O)C3)C4=CC=CC=C4

DOS

IR

Vibrations