Geometry & MOs

Info

ID:	448864
PubChem CID:	135294148
Reduced:	PSN2O5C21H23 (1)
Stoich.:	ABC2D5E21F23 (1)
Weight, g/mol:	345.185255
ΔH_f, kcal/mol:	-175.84
Dipole, Da:	7.27
IP(EA), eV:	-8.26(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)/C(=C/C=C/1\COC(=O)C(=C1P(=O)(O)O)C2=NC3=CC=CC=C3S2)/C=C

DOS

IR

Vibrations