Geometry & MOs

Info

ID:	62661
PubChem CID:	26732625
Reduced:	FN2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	293.045486
ΔH_f, kcal/mol:	-123.86
Dipole, Da:	2.66
IP(EA), eV:	-9.32(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)COC2=CC(=CC=C2)F)/C#N

DOS

IR

Vibrations