Geometry & MOs

Info

ID:	271626
PubChem CID:	103686108
Reduced:	N2S2O4H10C11 (1)
Stoich.:	A2B2C4D10E11 (1)
Weight, g/mol:	321.085721
ΔH_f, kcal/mol:	-33.16
Dipole, Da:	5.9
IP(EA), eV:	-9.53(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-thiophen-3-ylethyl)-4-phenylsulfanylbutanamide

Drug info:

PubChemData

Smile

C1=CSC=C1C(CNC(=O)C2=CC=C(S2)[N+](=O)[O-])O

DOS

IR

Vibrations