Geometry & MOs

Info

ID:	33964
PubChem CID:	7889029
Reduced:	SN3O3H21C23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	404.087787
ΔH_f, kcal/mol:	-47.47
Dipole, Da:	6.5
IP(EA), eV:	-8.68(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=CNC4=CC=CC=C43)C(=O)C)C

DOS

IR

Vibrations