Geometry & MOs

Info

ID:	396202
PubChem CID:	135027712
Reduced:	PSN3O3C20H20 (1)
Stoich.:	ABC3D3E20F20 (1)
Weight, g/mol:	305.142722
ΔH_f, kcal/mol:	-60.99
Dipole, Da:	5.95
IP(EA), eV:	-9.09(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[2-fluorobut-3-enoyl(prop-2-enyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(N2C(=NC(=N2)C3=CC=CC=C3)S1)C4=CC=CC=C4)OCC

DOS

IR

Vibrations