Geometry & MOs

Info

ID:	39162
PubChem CID:	8139835
Reduced:	N2O3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	374.093643
ΔH_f, kcal/mol:	-30.32
Dipole, Da:	1.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.068418
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 5-nitrothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)/C=C/C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations