Geometry & MOs

Info

ID:	399564
PubChem CID:	135040934
Reduced:	FOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	243.147058
ΔH_f, kcal/mol:	-148.84
Dipole, Da:	0.83
IP(EA), eV:	-9.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[2-(1-hydroxyethyl)but-3-enoylamino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(=CC=CC=C1F)F

DOS

IR

Vibrations