Geometry & MOs

Info

ID:	338808
PubChem CID:	127259819
Reduced:	NO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	330.069258
ΔH_f, kcal/mol:	-125.22
Dipole, Da:	6.46
IP(EA), eV:	-9.81(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-chloro-1-(2-phenylacetyl)oxyethyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)OCCC(=O)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations