Geometry & MOs

Info

ID:	234344
PubChem CID:	92298222
Reduced:	SN3O5H19C25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	5.79
Dipole, Da:	6.13
IP(EA), eV:	-9.12(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2)[N+](=O)[O-])/C=C/3\C(=O)N4C5=CC=CC=C5N=C4S3

DOS

IR

Vibrations