Geometry & MOs

Info

ID:

442411

PubChem CID:

135251921

Reduced:

SN3O5C24H31 (1)

Stoich.:

AB3C5D24E31 (1)

Weight, g/mol:

521.098761

ΔHf, kcal/mol:

-159.06

Dipole, Da:

10.18

IP(EA), eV:

 -7.97(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-(2,4-difluorophenyl)-4-methyl-8-(methylsulfonylmethyl)-3-oxo-4,12,16-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),5,9-tetraene-11-carbonyl chloride

Drug info:

PubChemData

Smile

CCOC(=O)C1CNC2=C3C1N(CC3=CC(C4=C2C(=O)N(C=C4)C)CS(=O)(=O)C)CC5CC5

DOS

IR

Vibrations