Geometry & MOs

Info

ID:	129743
PubChem CID:	51073706
Reduced:	NS2O4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	-169.96
Dipole, Da:	5.92
IP(EA), eV:	-9.44(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(=O)CCC(=O)N(C)C2CCS(=O)(=O)C2

DOS

IR

Vibrations