Geometry & MOs

Info

ID:	63511
PubChem CID:	26758520
Reduced:	F2N2O4C15H18 (1)
Stoich.:	A2B2C4D15E18 (1)
Weight, g/mol:	328.123463
ΔH_f, kcal/mol:	-273.5
Dipole, Da:	3.6
IP(EA), eV:	-9.94(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations