Geometry & MOs

Info

ID:	444394
PubChem CID:	135262256
Reduced:	H2O3C4F6 (1)
Stoich.:	A2B3C4D6 (1)
Weight, g/mol:	468.19436
ΔH_f, kcal/mol:	-433.43
Dipole, Da:	1.94
IP(EA), eV:	-12.67(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[4-[(2-phenylmethoxypyridin-3-yl)amino]-1,2,5-thiadiazol-3-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C(C(C(F)(F)F)(F)F)(OC(=O)O)F

DOS

IR

Vibrations