Geometry & MOs

Info

ID:	166435
PubChem CID:	74688920
Reduced:	NF2O3H21C24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	350.147786
ΔH_f, kcal/mol:	-153.67
Dipole, Da:	3.85
IP(EA), eV:	-9.62(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C(C1C(=O)OCC3=CC=CC=C3)C4=CC(=C(C=C4)F)F)C(=O)CCC2

DOS

IR

Vibrations