Geometry & MOs

Info

ID:	229559
PubChem CID:	87568017
Reduced:	SiO5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	380.153621
ΔH_f, kcal/mol:	-223.66
Dipole, Da:	10.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766607
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCO[Si](C1=CC2=C(C=C1)C(=O)OC2=O)OCCC

DOS

IR

Vibrations