Geometry & MOs

Info

ID:	63581
PubChem CID:	26758682
Reduced:	FN2O5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	444.133279
ΔH_f, kcal/mol:	-263.02
Dipole, Da:	4.13
IP(EA), eV:	-9.99(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-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)NC(C)C)OC(=O)CCC(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations