Geometry & MOs

Info

ID:	229744
PubChem CID:	87568759
Reduced:	KN2O2S2C3H7 (1)
Stoich.:	AB2C2D2E3F7 (1)
Weight, g/mol:	395.16452
ΔH_f, kcal/mol:	-135.56
Dipole, Da:	9.37
IP(EA), eV:	-8.0(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-pyrrolidin-1-ylprop-2-enamide

Drug info:

PubChemData

Smile

COC(=S)N.C(=S)(N)[O-].[K+]

DOS

IR

Vibrations