Geometry & MOs

Info

ID:	135691
PubChem CID:	51917317
Reduced:	SN2O6H22C24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	418.117629
ΔH_f, kcal/mol:	-101.67
Dipole, Da:	4.25
IP(EA), eV:	-8.64(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)/C=C/C(=O)OCC(=O)N2[C@@H](CC(=N2)C3=CC=CS3)C4=CC=CO4

DOS

IR

Vibrations