Geometry & MOs

Info

ID:	35708
PubChem CID:	7980226
Reduced:	NO4H21C23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	401.093309
ΔH_f, kcal/mol:	-91.06
Dipole, Da:	1.21
IP(EA), eV:	-8.69(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations