Geometry & MOs

Info

ID:	237249
PubChem CID:	92718025
Reduced:	NSO6C22H25 (1)
Stoich.:	ABC6D22E25 (1)
Weight, g/mol:	431.140259
ΔH_f, kcal/mol:	-205.87
Dipole, Da:	4.28
IP(EA), eV:	-9.37(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)OC(=O)COC2=CC=CC=C2C3=CC=CC=C3

DOS

IR

Vibrations