Geometry & MOs

Info

ID:	36832
PubChem CID:	8013466
Reduced:	NO4C10H13 (2)
Stoich.:	AB4C10D13 (2)
Weight, g/mol:	353.058549
ΔH_f, kcal/mol:	-311.36
Dipole, Da:	4.29
IP(EA), eV:	-9.01(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2,6-dichlorophenyl)acetate

Drug info:

PubChemData

Smile

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OCC

DOS

IR

Vibrations