Geometry & MOs

Info

ID:	435149
PubChem CID:	135182120
Reduced:	SN3F4O4H17C24 (1)
Stoich.:	AB3C4D4E17F24 (1)
Weight, g/mol:	278.154289
ΔH_f, kcal/mol:	-236.56
Dipole, Da:	4.71
IP(EA), eV:	-9.76(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-(triazol-1-yl)butan-2-amine

Drug info:

PubChemData

Smile

C1CC1OC(=O)C2=C(C=C(C=C2)N3C(=S)N(C(=O)C34CCOC4)C5=CC(=C(C=C5)C#N)C(F)(F)F)F

DOS

IR

Vibrations