Geometry & MOs

Info

ID:	15837
PubChem CID:	453324
Reduced:	OSN4C14H14 (1)
Stoich.:	ABC4D14E14 (1)
Weight, g/mol:	286.088832
ΔH_f, kcal/mol:	43.65
Dipole, Da:	2.43
IP(EA), eV:	-8.6(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-2-(methylsulfanylmethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

Drug info:

PubChemData

Smile

CN1C2=C(N=CC=C2)N(C3=C(C1=O)C=CC=N3)CSC

DOS

IR

Vibrations