Geometry & MOs

Info

ID:	132322
PubChem CID:	51342777
Reduced:	ClN2S2O5C20H25 (1)
Stoich.:	AB2C2D5E20F25 (1)
Weight, g/mol:	376.109293
ΔH_f, kcal/mol:	-164.06
Dipole, Da:	10.39
IP(EA), eV:	-8.38(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2,6-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)N(CC(=O)NCCSCC2=CC=CC=C2Cl)S(=O)(=O)C

DOS

IR

Vibrations