Geometry & MOs

Info

ID:	51592
PubChem CID:	12014289
Reduced:	OSN6H18C21 (1)
Stoich.:	ABC6D18E21 (1)
Weight, g/mol:	349.045588
ΔH_f, kcal/mol:	149.47
Dipole, Da:	3.72
IP(EA), eV:	-8.52(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-phenyl-2,17-dithia-9,11,12,14,15-pentazatetracyclo[8.7.1.03,8.012,16]octadeca-1(18),3,5,7,9,13,15-heptaene

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C(=C\2/CC(=O)NN3C(=NN=C3S2)C4=CC=CC=C4)/C#N

DOS

IR

Vibrations