Geometry & MOs

Info

ID:	375247
PubChem CID:	131481067
Reduced:	FON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	256.043712
ΔH_f, kcal/mol:	-23.25
Dipole, Da:	4.18
IP(EA), eV:	-9.82(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(4-chloro-2-methyl-1,3-benzothiazol-5-yl)propan-1-ol

Drug info:

PubChemData

Smile

C1CC1[C@H](C2=C(C=C(C(=C2)C#N)F)O)N

DOS

IR

Vibrations