Geometry & MOs

Info

ID:	233349
PubChem CID:	89850285
Reduced:	O4F7C21H25 (1)
Stoich.:	A4B7C21D25 (1)
Weight, g/mol:	313.131408
ΔH_f, kcal/mol:	-532.85
Dipole, Da:	6.56
IP(EA), eV:	-9.9(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3R)-3-hydroxy-2-(phenacylamino)-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C(OC2COC(OC2)C(OC3=CC(=C(C(=C3)F)F)F)(F)F)(F)F

DOS

IR

Vibrations