Geometry & MOs

Info

ID:	229484
PubChem CID:	87567816
Reduced:	FOSCl2N4C22H29 (1)
Stoich.:	ABCD2E4F22G29 (1)
Weight, g/mol:	366.137971
ΔH_f, kcal/mol:	-57.26
Dipole, Da:	5.86
IP(EA), eV:	-8.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=NN(C=C4)CCN)/C3)S.Cl.Cl

DOS

IR

Vibrations