Geometry & MOs

Info

ID:	213186
PubChem CID:	81063134
Reduced:	NO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	-173.81
Dipole, Da:	2.73
IP(EA), eV:	-9.83(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCC(C)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations