Geometry & MOs

Info

ID:	32429
PubChem CID:	7820404
Reduced:	ON3S3H13C14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	403.108959
ΔH_f, kcal/mol:	59.89
Dipole, Da:	5.02
IP(EA), eV:	-8.76(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CNC2=CC=CC=C21)SC3=NN=C(S3)SC

DOS

IR

Vibrations