Geometry & MOs

Info

ID:	171600
PubChem CID:	75401309
Reduced:	N2S2O5C20H28 (1)
Stoich.:	A2B2C5D20E28 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-165.27
Dipole, Da:	8.3
IP(EA), eV:	-8.61(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl]azepan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(CCOC)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations