Geometry & MOs

Info

ID:	192520
PubChem CID:	78279480
Reduced:	SN3O4C19H28 (1)
Stoich.:	AB3C4D19E28 (1)
Weight, g/mol:	467.140259
ΔH_f, kcal/mol:	-98.8
Dipole, Da:	5.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.888072
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1-phenylethylamino)ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CC=CO2)[NH+](C)C

DOS

IR

Vibrations