Geometry & MOs

Info

ID:	233177
PubChem CID:	87692812
Reduced:	ClSO2N5C21H30 (1)
Stoich.:	ABC2D5E21F30 (1)
Weight, g/mol:	378.082033
ΔH_f, kcal/mol:	-52.63
Dipole, Da:	8.15
IP(EA), eV:	-8.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-acetamido-4-methyl-4-(1,3-thiazol-5-yl)-1,3-thiazolidin-2-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CCN(CC1)CC2=CC3=C(N=C(N=C3S2)Cl)N4CCOCC4

DOS

IR

Vibrations