Geometry & MOs

Info

ID:

325796

PubChem CID:

126685006

Reduced:

SN2O5C30H30 (1)

Stoich.:

AB2C5D30E30 (1)

Weight, g/mol:

479.196883

ΔHf, kcal/mol:

-137.08

Dipole, Da:

2.68

IP(EA), eV:

 -8.93(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-fluorophenyl) N-(cyclopropylmethyl)-N-[3-(1,3-dicyclopropyl-2-hydroxy-6-oxo-2,7-dihydropurin-8-yl)prop-2-ynyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)SC1=CC=CC=C1C=O)NC(=O)[C@H](C(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations