Geometry & MOs

Info

ID:	151313
PubChem CID:	53801049
Reduced:	ClNSO3H10C15 (1)
Stoich.:	ABCD3E10F15 (1)
Weight, g/mol:	262.01635
ΔH_f, kcal/mol:	28.18
Dipole, Da:	6.17
IP(EA), eV:	-8.89(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dichlorophenyl) 4-methoxybutanoate

Drug info:

PubChemData

Smile

CON=C(C1=CC=C(C=C1)C#CC2=C(SC=C2)Cl)C(=O)O

DOS

IR

Vibrations