Geometry & MOs

Info

ID:	400015
PubChem CID:	135044521
Reduced:	SN3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	408.080158
ΔH_f, kcal/mol:	39.38
Dipole, Da:	2.97
IP(EA), eV:	-8.82(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,9S,11R)-16-oxa-4-azatetracyclo[7.6.1.01,11.03,8]hexadeca-3(8),4,6-trien-2-ylidene]platinum

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CSC(=N1)NC2=CN=CC=C2

DOS

IR

Vibrations