Geometry & MOs

Info

ID:	356458
PubChem CID:	127291531
Reduced:	ClO2S2N3C14H18 (1)
Stoich.:	AB2C2D3E14F18 (1)
Weight, g/mol:	353.123169
ΔH_f, kcal/mol:	-27.17
Dipole, Da:	7.18
IP(EA), eV:	-9.07(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2,5-dimethylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-1,3,5-trimethylpyrazole

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2S(=O)(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations