Geometry & MOs

Info

ID:

146465

PubChem CID:

53694804

Reduced:

F3N4O6C15H19 (1)

Stoich.:

A3B4C6D15E19 (1)

Weight, g/mol:

1014.342262

ΔHf, kcal/mol:

-244.34

Dipole, Da:

5.19

IP(EA), eV:

 -9.75(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-chloro-5-[[4-hydroxy-3-(methanesulfonamido)phenyl]sulfonylamino]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl] N-[4-[2-cyano-2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]ethenyl]-3-methylphenyl]-N-cyclopentylcarbamate

Drug info:

PubChemData

Smile

CCCN(CC(C)OC(=O)NC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations