Geometry & MOs

Info

ID:	28585
PubChem CID:	828467
Reduced:	SN4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	334.125218
ΔH_f, kcal/mol:	95.53
Dipole, Da:	2.44
IP(EA), eV:	-8.82(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-(2-methylphenyl)-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCCC5

DOS

IR

Vibrations