Geometry & MOs

Info

ID:	224777
PubChem CID:	85351571
Reduced:	ClO2N4H23C30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	580.243418
ΔH_f, kcal/mol:	121.36
Dipole, Da:	2.87
IP(EA), eV:	-9.0(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3,4-dihydroxy-5-[6-[(4-phenylphenyl)methylamino]purin-9-yl]oxolan-2-yl]methyl]-2-(3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(C(=C3C=NC4=CC=CC=C43)NC5=CC=CC=C5O2)N=NC6=CC(=CC=C6)Cl

DOS

IR

Vibrations