Geometry & MOs

Info

ID:	166160
PubChem CID:	74643395
Reduced:	S2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	342.084713
ΔH_f, kcal/mol:	38.51
Dipole, Da:	6.03
IP(EA), eV:	-8.62(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

13-methyl-4-methylsulfanyl-11-phenyl-8-thia-3,5,12-triaza-10-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),5,9,11-pentaen-6-amine

Drug info:

PubChemData

Smile

CC1C2C3C(C(NC(=S)N3)N)SC2NC(N1)C4=CC=CC=C4

DOS

IR

Vibrations