Geometry & MOs

Info

ID:

227851

PubChem CID:

87562717

Reduced:

Cl2O2N3F4C27H27 (1)

Stoich.:

A2B2C3D4E27F27 (1)

Weight, g/mol:

781.215997

ΔHf, kcal/mol:

-247.62

Dipole, Da:

5.27

IP(EA), eV:

 -8.82(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(4-methylpiperazin-1-yl)piperidin-1-yl] N-[5-chloro-3-[2-(2,2-difluoroethoxy)phenyl]-1-(2,4-dimethoxyphenyl)sulfonyl-6-fluoro-2-oxoindol-3-yl]carbamate

Drug info:

PubChemData

Smile

C1CN2CCC1[C@@H](C2)N([C@@H](CC3=C(C=C(C=C3)C(F)(F)F)F)C(=O)N)C(=O)C4(CC4)C5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations