Geometry & MOs

Info

ID:	154267
PubChem CID:	56313676
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	462.182458
ΔH_f, kcal/mol:	34.76
Dipole, Da:	4.71
IP(EA), eV:	-9.55(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[4-(3-phenylbutylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylate

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CN(N=C1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations