Geometry & MOs

Info

ID:	158373
PubChem CID:	56463531
Reduced:	SN3O4H23C24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-39.71
Dipole, Da:	7.3
IP(EA), eV:	-8.8(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)/C=C/C1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

DOS

IR

Vibrations