Geometry & MOs

Info

ID:	63571
PubChem CID:	26758655
Reduced:	NF3O5H18C20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	409.113707
ΔH_f, kcal/mol:	-321.6
Dipole, Da:	1.6
IP(EA), eV:	-9.16(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1OC(F)F)OC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations