Geometry & MOs

Info

ID:	163308
PubChem CID:	57726999
Reduced:	S2O3N9C26H31 (1)
Stoich.:	A2B3C9D26E31 (1)
Weight, g/mol:	444.067582
ΔH_f, kcal/mol:	122.16
Dipole, Da:	2.31
IP(EA), eV:	-9.34(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-methoxy-1-(3-phenylbenzene-6-id-1-yl)pyrazole;platinum

Drug info:

PubChemData

Smile

C[C@@H](CC1(C2=C(CCC3=C1SC(=C3)C(=O)NC)SC(=C2)C(=O)NC)C4=NNN=N4)NCC(=O)N5CCC[C@H]5C#N

DOS

IR

Vibrations