Geometry & MOs

Info

ID:	442030
PubChem CID:	135248151
Reduced:	SN5H19C21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	378.187818
ΔH_f, kcal/mol:	153.82
Dipole, Da:	5.43
IP(EA), eV:	-8.61(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(15-ethyl-11-methylidene-13-thia-2,4,10-triazabicyclo[10.3.0]pentadeca-1(12),3,14-trien-10-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

C=C1C2=C(C(=CS2)C#N)N=C(N1CC3=CC=CC=C3C#N)N4CCCCC4

DOS

IR

Vibrations