Geometry & MOs

Info

ID:	292089
PubChem CID:	114450335
Reduced:	BrSF3N3C10H13 (1)
Stoich.:	ABC3D3E10F13 (1)
Weight, g/mol:	273.031431
ΔH_f, kcal/mol:	-125.31
Dipole, Da:	6.46
IP(EA), eV:	-9.4(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2,2-dimethylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NN=C(S2)C(F)(F)F)CCBr

DOS

IR

Vibrations