Geometry & MOs

Info

ID:	260801
PubChem CID:	103204894
Reduced:	SN4H10C13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	294.068766
ΔH_f, kcal/mol:	110.2
Dipole, Da:	2.57
IP(EA), eV:	-8.64(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-benzotriazin-3-ylsulfanyl)-3H-benzimidazol-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)SC2=NC3=CC=CC=C3N=N2

DOS

IR

Vibrations