Geometry & MOs

Info

ID:	243506
PubChem CID:	99224932
Reduced:	SN4O4H14C16 (1)
Stoich.:	AB4C4D14E16 (1)
Weight, g/mol:	485.062
ΔH_f, kcal/mol:	-14.72
Dipole, Da:	4.98
IP(EA), eV:	-8.75(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-bromophenoxy)methyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CSC(=C4)[N+](=O)[O-]

DOS

IR

Vibrations