Geometry & MOs

Info

ID:	45680
PubChem CID:	10516466
Reduced:	N2H18C19 (1)
Stoich.:	A2B18C19 (1)
Weight, g/mol:	274.034689
ΔH_f, kcal/mol:	67.11
Dipole, Da:	2.47
IP(EA), eV:	-8.37(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-thia-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-12-thione

Drug info:

PubChemData

Smile

CC(C)(C)C1=C2C3=CC=CC=C3NC2=NC4=CC=CC=C41

DOS

IR

Vibrations