Geometry & MOs

Info

ID:	173479
PubChem CID:	75643003
Reduced:	ClSO2N3H14C15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	319.072369
ΔH_f, kcal/mol:	-16.2
Dipole, Da:	7.79
IP(EA), eV:	-8.62(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-3-[2-(furan-2-carbonyl)hydrazinyl]but-2-enamide

Drug info:

PubChemData

Smile

CC(=CC(=O)NC1=CC=C(C=C1)Cl)NNC(=O)C2=CC=CS2

DOS

IR

Vibrations