Geometry & MOs

Info

ID:	439221
PubChem CID:	135228988
Reduced:	Cl2O5N7H19C24 (1)
Stoich.:	A2B5C7D19E24 (1)
Weight, g/mol:	488.207624
ΔH_f, kcal/mol:	-63.45
Dipole, Da:	9.07
IP(EA), eV:	-9.1(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[6-[(3Z)-1-hydroxyhexa-3,5-dien-3-yl]-5-methyl-4-phenylpyridin-3-yl]acetyl]amino]butyl methyl hydrogen phosphate

Drug info:

PubChemData

Smile

CN1C2=C(C=CN=C2NC1=O)OC3=C(C(=C(C=C3)NC(=O)NC4=CC(=O)NN4C5=CC=C(C=C5)OC)Cl)Cl

DOS

IR

Vibrations