Geometry & MOs

Info

ID:	27275
PubChem CID:	820159
Reduced:	ClOSN2C18H19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	236.061949
ΔH_f, kcal/mol:	4.03
Dipole, Da:	1.74
IP(EA), eV:	-8.55(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylimino-1,3-benzothiazol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1CS[C@@]2(N1C3=CC=CC=C3)N(C[C@H](O2)CCl)C4=CC=CC=C4

DOS

IR

Vibrations