Geometry & MOs

Info

ID:

222905

PubChem CID:

85333013

Reduced:

N5O8C30H39 (1)

Stoich.:

A5B8C30D39 (1)

Weight, g/mol:

596.11784

ΔHf, kcal/mol:

-330.21

Dipole, Da:

3.5

IP(EA), eV:

 -9.64(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

7-bromo-6-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]-3-methyl-1-propylpyrrolo[3,2-d]pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)CN

DOS

IR

Vibrations