Geometry & MOs

Info

ID:	63513
PubChem CID:	26758525
Reduced:	FNO2C7H8 (2)
Stoich.:	ABC2D7E8 (2)
Weight, g/mol:	406.097643
ΔH_f, kcal/mol:	-264.96
Dipole, Da:	1.92
IP(EA), eV:	-9.99(-1.34)
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] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)C1=C(C=C(C=C1)F)F

DOS

IR

Vibrations