Geometry & MOs

Info

ID:	213313
PubChem CID:	81063426
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	-146.86
Dipole, Da:	2.6
IP(EA), eV:	-9.09(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzothiazole-6-carbonylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations