Geometry & MOs

Info

ID:	221752
PubChem CID:	85286107
Reduced:	P2N5O15C18H29 (1)
Stoich.:	A2B5C15D18E29 (1)
Weight, g/mol:	619.289365
ΔH_f, kcal/mol:	-727.46
Dipole, Da:	9.64
IP(EA), eV:	-9.55(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-aminobutoxy)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(CO)OC1C(C(C(O1)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)O)O

DOS

IR

Vibrations