Geometry & MOs

Info

ID:	268176
PubChem CID:	103598232
Reduced:	O3N6H18C20 (1)
Stoich.:	A3B6C18D20 (1)
Weight, g/mol:	297.11765
ΔH_f, kcal/mol:	60.65
Dipole, Da:	10.55
IP(EA), eV:	-9.67(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pent-2-enyl 3-[(2,4-difluorobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CNC(=O)C(=CC2=CC=CO2)N3C(=NN=N3)C4=CC=CC=C4)C

DOS

IR

Vibrations