Geometry & MOs

Info

ID:	399610
PubChem CID:	135041241
Reduced:	N2O4H6C7 (1)
Stoich.:	A2B4C6D7 (1)
Weight, g/mol:	237.08235
ΔH_f, kcal/mol:	-29.29
Dipole, Da:	4.22
IP(EA), eV:	-10.02(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxyethylsulfanyl)-N-phenylbut-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1/C=N\O)O)[N+](=O)[O-]

DOS

IR

Vibrations