Geometry & MOs

Info

ID:	311448
PubChem CID:	126592904
Reduced:	ClNO5H12C13 (1)
Stoich.:	ABC5D12E13 (1)
Weight, g/mol:	286.01635
ΔH_f, kcal/mol:	-184.5
Dipole, Da:	5.57
IP(EA), eV:	-9.58(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,3R)-2-(3,4-dichlorobenzoyl)-3-methylcyclopropyl]acetic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)C1=CC2=C(C(=C1)Cl)N(C(=O)O2)C)C(=O)O

DOS

IR

Vibrations