Geometry & MOs

Info

ID:	193348
PubChem CID:	78379107
Reduced:	SN3O4H17C22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	394.067051
ΔH_f, kcal/mol:	50.95
Dipole, Da:	4.77
IP(EA), eV:	-8.82(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-trien-12-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3C(=NC(=NC3=O)C=CC4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-])S2

DOS

IR

Vibrations