Geometry & MOs

Info

ID:	149837
PubChem CID:	53789515
Reduced:	ON6C24H26 (1)
Stoich.:	AB6C24D26 (1)
Weight, g/mol:	316.024181
ΔH_f, kcal/mol:	95.31
Dipole, Da:	8.7
IP(EA), eV:	-8.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[3-(trifluoromethyl)phenoxy]iminoacetaldehyde

Drug info:

PubChemData

Smile

CCC=CC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3N4C=NN=N4)C(C)C

DOS

IR

Vibrations