Geometry & MOs

Info

ID:	195473
PubChem CID:	78690372
Reduced:	OSCl2N3C13H15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	395.151492
ΔH_f, kcal/mol:	-35.69
Dipole, Da:	5.42
IP(EA), eV:	-8.71(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=S)NC2=CC(=CC(=C2)Cl)Cl)C(=O)N

DOS

IR

Vibrations