Geometry & MOs

Info

ID:	366137
PubChem CID:	127319517
Reduced:	NS2O3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	341.177313
ΔH_f, kcal/mol:	-138.36
Dipole, Da:	5.87
IP(EA), eV:	-8.41(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothian-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SCCC(=O)NC2CCCS(=O)(=O)C2)C

DOS

IR

Vibrations