Geometry & MOs

Info

ID:

437783

PubChem CID:

135227013

Reduced:

S2N4O4C33H38 (1)

Stoich.:

A2B4C4D33E38 (1)

Weight, g/mol:

471.142819

ΔHf, kcal/mol:

-50.87

Dipole, Da:

10.4

IP(EA), eV:

 -8.42(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(2,4-difluorophenoxy)-5-[(S-ethyl-N-methylsulfonimidoyl)methyl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C(=O)N(C=C3C4=C(C=CC(=C4)S(=N)(=O)C5CC5)NC6CCC7(CC6)CC7)C)C

DOS

IR

Vibrations