Geometry & MOs

Info

ID:	139530
PubChem CID:	52550163
Reduced:	ClSN2O5C15H19 (1)
Stoich.:	ABC2D5E15F19 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-132.47
Dipole, Da:	3.73
IP(EA), eV:	-10.09(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-methoxy-5-methylphenyl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCCCN([C@@H]1CCS(=O)(=O)C1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations