Geometry & MOs

Info

ID:	213720
PubChem CID:	81064775
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	292.088164
ΔH_f, kcal/mol:	-174.95
Dipole, Da:	3.05
IP(EA), eV:	-9.02(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,3-benzothiazole-6-carbonylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CC1=CC(=CC=C1)OC

DOS

IR

Vibrations