Geometry & MOs

Info

ID:	229172
PubChem CID:	87567113
Reduced:	FSN3O3H14C19 (1)
Stoich.:	ABC3D3E14F19 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-42.81
Dipole, Da:	4.44
IP(EA), eV:	-9.16(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=NC=CS1)OC2=CC=C(C=C2)OC3=C(C=C(C=C3)C#N)F

DOS

IR

Vibrations