Geometry & MOs

Info

ID:	431699
PubChem CID:	135171795
Reduced:	SF3O3N5C22H30 (1)
Stoich.:	AB3C3D5E22F30 (1)
Weight, g/mol:	443.196666
ΔH_f, kcal/mol:	-208.75
Dipole, Da:	9.1
IP(EA), eV:	-9.05(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-aminoethyl)-1-N-(2-methylpropyl)-1-N-(oxan-4-yl)-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

C[C@H](CC(=O)NO)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations