Geometry & MOs

Info

ID:	129962
PubChem CID:	51074402
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	337.109627
ΔH_f, kcal/mol:	-19.45
Dipole, Da:	6.9
IP(EA), eV:	-9.43(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(3-hydroxypiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=C2C=C(C=CC2=N1)C(=O)NCC(C3=CC=CC=C3)O)C

DOS

IR

Vibrations