Geometry & MOs

Info

ID:	443153
PubChem CID:	135257865
Reduced:	NF4O4H33C36 (1)
Stoich.:	AB4C4D33E36 (1)
Weight, g/mol:	732.432282
ΔH_f, kcal/mol:	-280.98
Dipole, Da:	4.49
IP(EA), eV:	-9.47(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,10R)-2,10-bis[[2-amino-5-[3-(4-methoxyphenyl)propoxy]pyrimidin-4-yl]amino]undecane-1,11-diol

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=C(C=C(C(=C3)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)F)C(=O)C(F)(F)F

DOS

IR

Vibrations