Geometry & MOs

Info

ID:	63582
PubChem CID:	26758684
Reduced:	FN2O7H21C22 (1)
Stoich.:	AB2C7D21E22 (1)
Weight, g/mol:	444.133279
ΔH_f, kcal/mol:	-284.28
Dipole, Da:	4.36
IP(EA), eV:	-8.63(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)CCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations