Geometry & MOs

Info

ID:	214014
PubChem CID:	81065769
Reduced:	N2O3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	309.078327
ΔH_f, kcal/mol:	-162.56
Dipole, Da:	5.88
IP(EA), eV:	-9.51(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-nitro-1,3-benzothiazol-5-yl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)N1CCCCC1

DOS

IR

Vibrations