Geometry & MOs

Info

ID:	194696
PubChem CID:	78577282
Reduced:	SN2O2F3H15C20 (1)
Stoich.:	AB2C2D3E15F20 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	-140.25
Dipole, Da:	3.48
IP(EA), eV:	-8.85(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(butan-2-ylcarbamoylamino)-2-oxoethyl] 3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)NC(=O)C=CC2=CC=C(C=C2)OC(F)F)C3=CC=C(C=C3)F

DOS

IR

Vibrations