Geometry & MOs

Info

ID:	195445
PubChem CID:	78686966
Reduced:	ClSN2O4H15C17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	380.158351
ΔH_f, kcal/mol:	-96.2
Dipole, Da:	4.59
IP(EA), eV:	-8.87(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2N1S(=O)(=O)C=CC3=CC=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations