Geometry & MOs

Info

ID:

180236

PubChem CID:

76602605

Reduced:

SN5O8C38H43 (1)

Stoich.:

AB5C8D38E43 (1)

Weight, g/mol:

698.240831

ΔHf, kcal/mol:

-181.12

Dipole, Da:

11.53

IP(EA), eV:

 -8.63(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[4-[2-chloro-6-(2,2-diphenylethylamino)purin-9-yl]cyclopent-2-en-1-yl]-N-phenylmethoxycarbonylcarbamate

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NCC=CCOC2=CC3=C(C=C2)C4=CC=CC=C4C3=NOC5CC(C(C5)C(=O)NC6(CC6C=C)C(=O)NS(=O)(=O)C7CC7)C(=O)N1

DOS

IR

Vibrations