Geometry & MOs

Info

ID:

313482

PubChem CID:

126614967

Reduced:

NO5C23H31 (1)

Stoich.:

AB5C23D31 (1)

Weight, g/mol:

686.17137

ΔHf, kcal/mol:

-187.87

Dipole, Da:

3.23

IP(EA), eV:

 -8.95(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]-3-[(3-iodophenyl)methyl]-8-methyl-6-oxopyrano[3,2-f]benzimidazole-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CCOC1=CC(=CC=C1)OCCOCC2=CC=CC=C2

DOS

IR

Vibrations