Geometry & MOs

Info

ID:	217300
PubChem CID:	85087580
Reduced:	OC4H6 (5)
Stoich.:	AB4C6 (5)
Weight, g/mol:	350.166414
ΔH_f, kcal/mol:	-248.74
Dipole, Da:	8.26
IP(EA), eV:	-9.94(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(2-methylsulfanylethyl)-2-oxopiperazin-1-yl]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC=C(C)C(=O)OC1CCC2(CC(=O)C(=CC2C1(C)O)C(C)(C)O)C

DOS

IR

Vibrations