Geometry & MOs

Info

ID:	229804
PubChem CID:	87569115
Reduced:	Br2N2H8C9 (1)
Stoich.:	A2B2C8D9 (1)
Weight, g/mol:	354.103814
ΔH_f, kcal/mol:	75.52
Dipole, Da:	3.54
IP(EA), eV:	-8.76(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)N(/C=C/Br)/C=C/Br

DOS

IR

Vibrations