Geometry & MOs

Info

ID:	63290
PubChem CID:	26750496
Reduced:	SN3O5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	363.077658
ΔH_f, kcal/mol:	-123.29
Dipole, Da:	5.96
IP(EA), eV:	-9.17(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylsulfonylanilino)-2-oxoethyl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CCC(=O)NNC(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations