Geometry & MOs

Info

ID:	85862
PubChem CID:	49879787
Reduced:	ClFON3H19C26 (1)
Stoich.:	ABCD3E19F26 (1)
Weight, g/mol:	453.101082
ΔH_f, kcal/mol:	29.26
Dipole, Da:	13.23
IP(EA), eV:	-8.78(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-(5-chloro-2-methylphenyl)-2-cyanoprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3F)/C=C(/C#N)\C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations