Geometry & MOs

Info

ID:	135859
PubChem CID:	51950714
Reduced:	ClSN3O3H12C14 (1)
Stoich.:	ABC3D3E12F14 (1)
Weight, g/mol:	337.02879
ΔH_f, kcal/mol:	16.87
Dipole, Da:	5.14
IP(EA), eV:	-9.17(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-nitrocyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]1[N+](=O)[O-])C(=O)N=C2N(C=CS2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations