Geometry & MOs

Info

ID:	448854
PubChem CID:	135294062
Reduced:	FO2N4C23H31 (1)
Stoich.:	AB2C4D23E31 (1)
Weight, g/mol:	319.169605
ΔH_f, kcal/mol:	-95.83
Dipole, Da:	7.34
IP(EA), eV:	-8.4(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4Z)-2,5-diamino-5-(3-fluoro-5-formyl-2-methylphenyl)-N-(2-methylpropyl)penta-2,4-dienamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C(=O)NC2CC2)/C(=C/C=C(/C(=O)N(C)C3CCCCC3)\N)/N

DOS

IR

Vibrations