Geometry & MOs

Info

ID:	311446
PubChem CID:	126592901
Reduced:	Cl2O7H16C17 (1)
Stoich.:	A2B7C16D17 (1)
Weight, g/mol:	344.021829
ΔH_f, kcal/mol:	-257.33
Dipole, Da:	2.84
IP(EA), eV:	-9.9(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyloxyethyl (2S)-2-(3,4-dichlorobenzoyl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]1C(=O)OC[C@@H]2[C@@H]([C@@H]3[C@H](O2)OCO3)O)C(=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations