Geometry & MOs

Info

ID:	35710
PubChem CID:	7980228
Reduced:	NO6C20H21 (1)
Stoich.:	AB6C20D21 (1)
Weight, g/mol:	405.124609
ΔH_f, kcal/mol:	-209.31
Dipole, Da:	6.21
IP(EA), eV:	-9.19(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-[(3S)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations