Geometry & MOs

Info

ID:	125017
PubChem CID:	50907390
Reduced:	FON2C17H19 (2)
Stoich.:	ABC2D17E19 (2)
Weight, g/mol:	557.359373
ΔH_f, kcal/mol:	-98.75
Dipole, Da:	4.1
IP(EA), eV:	-8.11(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[[(5S)-2-(3-hexadecoxypropoxymethyl)-2-oxo-1,4,2lambda5-dioxaphosphinan-5-yl]methyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C(C=C2F)F)N=C1C3=CC=C(C=C3)C(C)(C)C)NC4=C(C=CC(=C4)N5CCOCC5)N6CCOCC6

DOS

IR

Vibrations