Geometry & MOs

Info

ID:	194511
PubChem CID:	78547217
Reduced:	FNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-179.69
Dipole, Da:	3.37
IP(EA), eV:	-8.94(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(=O)OC(C)C(=O)NC2=CC=CC=C2F)C

DOS

IR

Vibrations