Geometry & MOs

Info

ID:	436604
PubChem CID:	135206007
Reduced:	O4C21H28 (1)
Stoich.:	A4B21C28 (1)
Weight, g/mol:	657.279863
ΔH_f, kcal/mol:	-198.25
Dipole, Da:	9.92
IP(EA), eV:	-9.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-hydroxy-3,3-bis(4-methoxyphenyl)-3-phenylpropyl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@](C3CC2C(=O)O)(C)C(=O)O)C

DOS

IR

Vibrations