Geometry & MOs

Info

ID:	82902
PubChem CID:	49856770
Reduced:	NO4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	345.157623
ΔH_f, kcal/mol:	-150.82
Dipole, Da:	3.29
IP(EA), eV:	-9.56(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-[(1S)-1-(4-methoxyphenyl)-3-oxopropyl]-5-oxo-2H-pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations