Geometry & MOs

Info

ID:	36694
PubChem CID:	8011351
Reduced:	SO2N3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	419.140259
ΔH_f, kcal/mol:	35.59
Dipole, Da:	6.0
IP(EA), eV:	-9.16(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-[(3R)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

C1CC1C2=NN=C(S2)NC(=O)C3=CC=CC=C3COC4=CC=CC=C4

DOS

IR

Vibrations