Geometry & MOs

Info

ID:	311449
PubChem CID:	126592905
Reduced:	Cl2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	306.088353
ΔH_f, kcal/mol:	-105.4
Dipole, Da:	5.52
IP(EA), eV:	-9.69(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-N'-amino-2-(3-chloro-4-cyclopropyloxybenzoyl)-N-iminocyclopropane-1-carboximidamide

Drug info:

PubChemData

Smile

C[C@H]1[C@H](C1CC(=O)O)C(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations