Geometry & MOs

Info

ID:	180522
PubChem CID:	76648563
Reduced:	BNPtSO2H23C30 (1)
Stoich.:	ABCDE2F23G30 (1)
Weight, g/mol:	675.157126
ΔH_f, kcal/mol:	201.57
Dipole, Da:	7.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 4.233598
Charge, e:	-1

Chem-info

IUPAC name:

5-[2-(2,4-dimethoxybenzene-6-id-1-yl)pyridin-4-yl]pyrido[4,3-b]indole;4-hydroxypent-3-en-2-one;platinum

Drug info:

PubChemData

Smile

B1(C2=C(C3=[C-]C=CC=C31)N=CC=C2)C4=C(C5=CC=CC=C5S4)C6=CC=CC=C6.CC(=CC(=O)C)O.[Pt]

DOS

IR

Vibrations