Geometry & MOs

Info

ID:	199144
PubChem CID:	79204174
Reduced:	SN2O2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	264.093249
ΔH_f, kcal/mol:	-54.38
Dipole, Da:	4.08
IP(EA), eV:	-8.95(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCO

DOS

IR

Vibrations