Geometry & MOs

Info

ID:

311420

PubChem CID:

126592377

Reduced:

N5H43C60 (1)

Stoich.:

A5B43C60 (1)

Weight, g/mol:

520.00775

ΔHf, kcal/mol:

271.15

Dipole, Da:

7.78

IP(EA), eV:

 -7.8(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(2-fluoro-4-iodoanilino)-7-[hydroxy-(2-hydroxyethoxyamino)methyl]-2,5-dimethyl-[1,3]thiazolo[4,5-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=C(C=C(C=C6)C7=C8C9=CC=CC=C9N(C8=CC=C7)C1=CC=CC=C1)C1N=C(NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations