Geometry & MOs

Info

ID:	404452
PubChem CID:	135066406
Reduced:	FOC22H23 (1)
Stoich.:	ABC22D23 (1)
Weight, g/mol:	281.146093
ΔH_f, kcal/mol:	-30.95
Dipole, Da:	1.41
IP(EA), eV:	-8.91(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[[(S)-tert-butylsulfinyl]amino]-2-fluoro-4-methylpentanoate

Drug info:

PubChemData

Smile

CCC(=O)C(C)(C1CC1C2=CC=C(C=C2)/C=C/C3=CC=CC=C3)F

DOS

IR

Vibrations