Geometry & MOs

Info

ID:

168698

PubChem CID:

75005178

Reduced:

SN2F3O5C17H17 (1)

Stoich.:

AB2C3D5E17F17 (1)

Weight, g/mol:

721.260187

ΔHf, kcal/mol:

-323.02

Dipole, Da:

4.79

IP(EA), eV:

 -9.43(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-[[[3-[[9-(2-chlorophenyl)-3,7-dimethyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaen-14-yl]methyl]phenyl]-pyridin-3-ylmethylidene]amino]oxypentanoate

Drug info:

PubChemData

Smile

CC1(C(C(C2=C(O1)C=CC(=C2)OC(F)(F)F)NS(=O)(=O)C3=CN=CC=C3)O)C

DOS

IR

Vibrations