Geometry & MOs

Info

ID:	127136
PubChem CID:	50992191
Reduced:	O4N6H18C19 (1)
Stoich.:	A4B6C18D19 (1)
Weight, g/mol:	471.190654
ΔH_f, kcal/mol:	-41.54
Dipole, Da:	11.55
IP(EA), eV:	-8.95(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C(=NC3=C2NC(=NC3=O)N)/C=C/C4=CC=C(C=C4)C#N)CO)O

DOS

IR

Vibrations