Geometry & MOs

Info

ID:	395853
PubChem CID:	135026723
Reduced:	C5H6 (4)
Stoich.:	A5B6 (4)
Weight, g/mol:	301.088498
ΔH_f, kcal/mol:	122.88
Dipole, Da:	4.41
IP(EA), eV:	-6.19(-3.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-12-methylsulfanyl-3,13,15-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-14,16-dione

Drug info:

PubChemData

Smile

C1CCC2=C(C=C[C-]2C1)CC[C@@H]3CCCC4=C3[CH-]C=C4

DOS

IR

Vibrations