Geometry & MOs

Info

ID:	228484
PubChem CID:	87564797
Reduced:	SN3F6O6H18C25 (1)
Stoich.:	AB3C6D6E18F25 (1)
Weight, g/mol:	310.262028
ΔH_f, kcal/mol:	-355.1
Dipole, Da:	5.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.739985
Charge, e:	0

Chem-info

IUPAC name:

(dicyclohexylamino) (2S)-2-amino-4-methylpentanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H]2C(=O)N(C(=O)[N+]2(CC3=CC=NC=C3)OC(=O)C(F)(F)F)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations