Geometry & MOs

Info

ID:	37459
PubChem CID:	8021324
Reduced:	FNO3C22H26 (1)
Stoich.:	ABC3D22E26 (1)
Weight, g/mol:	343.121986
ΔH_f, kcal/mol:	-171.37
Dipole, Da:	4.43
IP(EA), eV:	-9.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] (E)-3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)/C=C/C4=CC(=CC=C4)F

DOS

IR

Vibrations