Geometry & MOs

Info

ID:	62115
PubChem CID:	26717614
Reduced:	SO4N5C20H21 (1)
Stoich.:	AB4C5D20E21 (1)
Weight, g/mol:	491.151492
ΔH_f, kcal/mol:	-95.7
Dipole, Da:	7.81
IP(EA), eV:	-8.45(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCCCC(=O)NC3=CC4=C(C=C3)NC(=O)N4

DOS

IR

Vibrations