Geometry & MOs

Info

ID:	36840
PubChem CID:	8013599
Reduced:	N2O6H18C19 (1)
Stoich.:	A2B6C18D19 (1)
Weight, g/mol:	415.130088
ΔH_f, kcal/mol:	-111.51
Dipole, Da:	5.88
IP(EA), eV:	-8.69(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3

DOS

IR

Vibrations