Geometry & MOs

Info

ID:	208498
PubChem CID:	80537775
Reduced:	OSBr2N4C10H10 (1)
Stoich.:	ABC2D4E10F10 (1)
Weight, g/mol:	327.04444
ΔH_f, kcal/mol:	40.22
Dipole, Da:	2.03
IP(EA), eV:	-8.79(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-chloro-1,3-benzothiazol-2-yl)carbamoylamino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)CNC(=O)C2=CC(=C(S2)Br)Br)N

DOS

IR

Vibrations