Geometry & MOs

Info

ID:	292087
PubChem CID:	114449464
Reduced:	SO2F3N3C10H12 (1)
Stoich.:	AB2C3D3E10F12 (1)
Weight, g/mol:	302.081302
ΔH_f, kcal/mol:	-209.46
Dipole, Da:	6.74
IP(EA), eV:	-9.75(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC1(CCCC1NC2=NN=C(S2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations