Geometry & MOs

Info

ID:	391426
PubChem CID:	135004974
Reduced:	N2O5C23H30 (1)
Stoich.:	A2B5C23D30 (1)
Weight, g/mol:	416.267508
ΔH_f, kcal/mol:	-132.31
Dipole, Da:	6.51
IP(EA), eV:	-9.8(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(C[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])C(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations