Geometry & MOs

Info

ID:	63899
PubChem CID:	26759443
Reduced:	NO5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	451.145344
ΔH_f, kcal/mol:	-218.14
Dipole, Da:	2.28
IP(EA), eV:	-8.37(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCCCC1)OC(=O)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations