Geometry & MOs

Info

ID:	133507
PubChem CID:	51538067
Reduced:	SF2N3O3C17H25 (1)
Stoich.:	AB2C3D3E17F25 (1)
Weight, g/mol:	391.270916
ΔH_f, kcal/mol:	-206.86
Dipole, Da:	5.85
IP(EA), eV:	-9.23(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]-ethylazanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC(C)C)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations