Geometry & MOs

Info

ID:	199143
PubChem CID:	79204144
Reduced:	NO4C14H21 (1)
Stoich.:	AB4C14D21 (1)
Weight, g/mol:	250.077599
ΔH_f, kcal/mol:	-166.59
Dipole, Da:	5.74
IP(EA), eV:	-8.36(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CCCO)OCCOC

DOS

IR

Vibrations