Geometry & MOs

Info

ID:	342587
PubChem CID:	127265747
Reduced:	SN2O4H12C15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	295.124215
ΔH_f, kcal/mol:	-84.14
Dipole, Da:	1.42
IP(EA), eV:	-8.92(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]but-2-enamide

Drug info:

PubChemData

Smile

CC1=CSC2=C1C(=O)NC(=N2)C=CC3=CC(=CO3)C(=O)OC

DOS

IR

Vibrations