Geometry & MOs

Info

ID:	86526
PubChem CID:	49886628
Reduced:	SN3O3C10H15 (1)
Stoich.:	AB3C3D10E15 (1)
Weight, g/mol:	299.119129
ΔH_f, kcal/mol:	-89.25
Dipole, Da:	3.18
IP(EA), eV:	-9.12(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(N-ethylsulfonyl-4-methylanilino)acetate

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(CC(=O)NN)C1=CC=CC=C1

DOS

IR

Vibrations