Geometry & MOs

Info

ID:	388252
PubChem CID:	134988653
Reduced:	OSC3H3 (2)
Stoich.:	ABC3D3 (2)
Weight, g/mol:	281.123878
ΔH_f, kcal/mol:	-39.56
Dipole, Da:	2.89
IP(EA), eV:	-9.35(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(1S)-2-methyl-1-[(2,2,2-trifluoroacetyl)amino]propyl]pent-4-enoate

Drug info:

PubChemData

Smile

COSC(=O)C1=CC=CS1

DOS

IR

Vibrations