Geometry & MOs

Info

ID:	330221
PubChem CID:	127247208
Reduced:	SN4O4C14H18 (1)
Stoich.:	AB4C4D14E18 (1)
Weight, g/mol:	339.071134
ΔH_f, kcal/mol:	-78.52
Dipole, Da:	4.05
IP(EA), eV:	-10.06(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)C(=O)N2CCC(C2)C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations