Geometry & MOs

Info

ID:	229057
PubChem CID:	87566854
Reduced:	MoNO3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	497.159555
ΔH_f, kcal/mol:	12.47
Dipole, Da:	9.85
IP(EA), eV:	-7.58(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3E)-3-(1,2,5-thiadiazol-3-ylmethylidene)-1-tritylpiperidin-4-yl] ethanethioate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC=NCC(=O)O)O.[Mo]

DOS

IR

Vibrations