Geometry & MOs

Info

ID:	63619
PubChem CID:	26758787
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	359.116901
ΔH_f, kcal/mol:	-198.39
Dipole, Da:	6.62
IP(EA), eV:	-8.29(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations