Geometry & MOs

Info

ID:	82811
PubChem CID:	49856584
Reduced:	N4O4H16C21 (1)
Stoich.:	A4B4C16D21 (1)
Weight, g/mol:	315.147058
ΔH_f, kcal/mol:	-30.96
Dipole, Da:	4.1
IP(EA), eV:	-9.48(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC=C3C=C(C=CC3=N2)N4C=CN=C4.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations