Geometry & MOs

Info

ID:	13943
PubChem CID:	400553
Reduced:	S2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	320.112939
ΔH_f, kcal/mol:	83.08
Dipole, Da:	1.62
IP(EA), eV:	-8.77(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7,7a-trimethyl-2,5-bis(methylsulfanyl)-3-phenylimidazo[1,5-b][1,2,4]triazole

Drug info:

PubChemData

Smile

CC1(C2(N=C(N(N2C(=N1)SC)C3=CC=CC=C3)SC)C)C

DOS

IR

Vibrations