Geometry & MOs

Info

ID:	62662
PubChem CID:	26732626
Reduced:	ClNO4H12C14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	341.053335
ΔH_f, kcal/mol:	-116.84
Dipole, Da:	3.98
IP(EA), eV:	-9.05(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl] furan-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=CC=CO2

DOS

IR

Vibrations