Geometry & MOs

Info

ID:	180783
PubChem CID:	76685129
Reduced:	SO3N4C26H26 (1)
Stoich.:	AB3C4D26E26 (1)
Weight, g/mol:	523.164616
ΔH_f, kcal/mol:	-42.08
Dipole, Da:	7.45
IP(EA), eV:	-8.87(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-N-butan-2-ylcyclohexane-1,2-diamine;3-hydroxycyclobutane-1,1-dicarboxylate;platinum(2+)

Drug info:

PubChemData

Smile

C1CC(CCC1C2=NN=C(O2)C3=CC=CC=C3)NC(=O)CCSC4=CC5=CC=CC=C5C(=O)N4

DOS

IR

Vibrations