Geometry & MOs

Info

ID:	387713
PubChem CID:	134986554
Reduced:	ClNOH12C13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	276.13953
ΔH_f, kcal/mol:	-11.85
Dipole, Da:	2.23
IP(EA), eV:	-8.14(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-acetyloxy-2-octylsulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=CC(=C(C=C2)O)Cl

DOS

IR

Vibrations