Geometry & MOs

Info

ID:	222028
PubChem CID:	85293506
Reduced:	SSiO4C26H42 (1)
Stoich.:	ABC4D26E42 (1)
Weight, g/mol:	481.184427
ΔH_f, kcal/mol:	-98.04
Dipole, Da:	6.61
IP(EA), eV:	-8.63(0.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl N-[7-[(2-methoxyphenyl)methylamino]-2-methyl-5-(4-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-4-ium-6-yl]ethanimidothioate

Drug info:

PubChemData

Smile

CC12CCC(C3C1C(COC2OC)C4=CC5(CCC34CC5=C)S)OCOCC[Si](C)(C)C

DOS

IR

Vibrations