Geometry & MOs

Info

ID:

226132

PubChem CID:

87325862

Reduced:

SN2O3C8H16 (1)

Stoich.:

AB2C3D8E16 (1)

Weight, g/mol:

999.31116

ΔHf, kcal/mol:

-153.27

Dipole, Da:

7.37

IP(EA), eV:

 -9.26(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[[2-(4-chlorophenyl)cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[cyclopropyl(oxan-4-yl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide

Drug info:

PubChemData

Smile

CC(=O)NSC(C)(C)[C@H](C(=O)O)NC

DOS

IR

Vibrations