Geometry & MOs

Info

ID:	160400
PubChem CID:	57309748
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	274.006658
ΔH_f, kcal/mol:	-12.5
Dipole, Da:	2.98
IP(EA), eV:	-8.18(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)sulfanyl-4-formyloxybutanoic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CN2)CCC(CN)N

DOS

IR

Vibrations