Geometry & MOs

Info

ID:	391106
PubChem CID:	135002859
Reduced:	NO2S2Cl3C20H34 (1)
Stoich.:	AB2C2D3E20F34 (1)
Weight, g/mol:	472.09977
ΔH_f, kcal/mol:	-57.48
Dipole, Da:	5.79
IP(EA), eV:	-9.14(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(R)-(4-bromophenyl)-(2-methoxyanilino)methyl]-5-oxo-2H-pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCS/C(=C(\C(=C(SCCCCCCCC)Cl)Cl)/[N+](=O)[O-])/Cl

DOS

IR

Vibrations