Geometry & MOs

Info

ID:	30768
PubChem CID:	841825
Reduced:	ClO2N3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	266.028062
ΔH_f, kcal/mol:	-3.88
Dipole, Da:	2.96
IP(EA), eV:	-8.77(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(O2)C=NNC(=O)N)Cl

DOS

IR

Vibrations