Geometry & MOs

Info

ID:	294512
PubChem CID:	117465648
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	288.066759
ΔH_f, kcal/mol:	-120.49
Dipole, Da:	10.35
IP(EA), eV:	-9.95(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxy-2-(3-methoxy-4-methylsulfonylphenyl)acetate

Drug info:

PubChemData

Smile

C1CC1(CC(=O)O)C2=CC=CC=C2N3CCNC(=O)C3=O

DOS

IR

Vibrations