Geometry & MOs

Info

ID:	82901
PubChem CID:	49856769
Reduced:	NO4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	329.162708
ΔH_f, kcal/mol:	-150.5
Dipole, Da:	4.2
IP(EA), eV:	-9.46(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-[(1S)-1-(3-methylphenyl)-3-oxopropyl]-5-oxo-2H-pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](CC=O)[C@H]2C=CC(=O)N2C(=O)OC(C)(C)C

DOS

IR

Vibrations