Geometry & MOs

Info

ID:	173205
PubChem CID:	75610666
Reduced:	BrOSN3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	579.07674
ΔH_f, kcal/mol:	10.94
Dipole, Da:	4.91
IP(EA), eV:	-8.5(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-[2-[2-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)Br)C=NNC(=S)NCC

DOS

IR

Vibrations