Geometry & MOs

Info

ID:	138749
PubChem CID:	52419690
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	372.101802
ΔH_f, kcal/mol:	-58.44
Dipole, Da:	2.73
IP(EA), eV:	-8.07(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]-6-(hydroxymethyl)-4-oxopyran-3-olate

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2)NC(=O)N

DOS

IR

Vibrations