Geometry & MOs

Info

ID:	135689
PubChem CID:	51917315
Reduced:	FNO5H22C25 (1)
Stoich.:	ABC5D22E25 (1)
Weight, g/mol:	435.148201
ΔH_f, kcal/mol:	-153.67
Dipole, Da:	5.71
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)/C=C/C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations