Geometry & MOs

Info

ID:	268925
PubChem CID:	103602260
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	280.088164
ΔH_f, kcal/mol:	-118.17
Dipole, Da:	3.74
IP(EA), eV:	-8.46(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CCC(CO)(CO)NC(=O)CCC1=CNC2=CC=CC=C21

DOS

IR

Vibrations