Geometry & MOs

Info

ID:	15953
PubChem CID:	456227
Reduced:	SN5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	311.120467
ΔH_f, kcal/mol:	73.43
Dipole, Da:	3.85
IP(EA), eV:	-8.32(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-benzyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-3,5-diamine

Drug info:

PubChemData

Smile

C1CN(CC2=C1C3=C(N=C(N=C3S2)N)N)CC4=CC=CC=C4

DOS

IR

Vibrations