Geometry & MOs

Info

ID:

219057

PubChem CID:

85090419

Reduced:

SN4O6C27H36 (1)

Stoich.:

AB4C6D27E36 (1)

Weight, g/mol:

546.26244

ΔHf, kcal/mol:

-221.81

Dipole, Da:

7.02

IP(EA), eV:

 -9.01(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-cyclopentyl-2-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]-6-ethyl-2,3-dihydro-1H-imidazo[1,5-a][1,3,5]triazin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)NC(CC2CCCCC2)C(=O)NC3CCCN(CC3=O)S(=O)(=O)C4=CC=CC=N4

DOS

IR

Vibrations