Geometry & MOs

Info

ID:	64480
PubChem CID:	29201434
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	488.128708
ΔH_f, kcal/mol:	-162.84
Dipole, Da:	3.21
IP(EA), eV:	-8.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(=O)NC)OC(=O)C1=CC=CC=C1NC

DOS

IR

Vibrations