Geometry & MOs

Info

ID:	159232
PubChem CID:	57264555
Reduced:	NSO5C12H13 (1)
Stoich.:	ABC5D12E13 (1)
Weight, g/mol:	178.02998
ΔH_f, kcal/mol:	-187.1
Dipole, Da:	2.37
IP(EA), eV:	-9.47(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methylsulfonylprop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)NC(=O)CS)C(=O)OC

DOS

IR

Vibrations