Geometry & MOs

Info

ID:	258926
PubChem CID:	103157446
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	281.055816
ΔH_f, kcal/mol:	-41.93
Dipole, Da:	1.56
IP(EA), eV:	-8.81(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-1-amine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(S2)CC(CN)OC

DOS

IR

Vibrations