Geometry & MOs

Info

ID:	192327
PubChem CID:	78257054
Reduced:	Cl2O2S2N5H19C24 (1)
Stoich.:	A2B2C2D5E19F24 (1)
Weight, g/mol:	437.206304
ΔH_f, kcal/mol:	33.1
Dipole, Da:	5.17
IP(EA), eV:	-8.98(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-5-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]ethenyl]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)N(C4N3C(=NN4)SCC(=O)NC5=CC=C(C=C5)Cl)C6=CC(=CC=C6)Cl

DOS

IR

Vibrations