Geometry & MOs

Info

ID:

178286

PubChem CID:

76308477

Reduced:

SN2F6O7H22C31 (1)

Stoich.:

AB2C6D7E22F31 (1)

Weight, g/mol:

644.089878

ΔHf, kcal/mol:

-496.47

Dipole, Da:

7.35

IP(EA), eV:

 -9.25(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-acetyloxy-4-[(E)-3-oxo-3-[[5-[[4-(trifluoromethylsulfanyl)phenyl]sulfamoyl]naphthalen-1-yl]amino]prop-1-enyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)N(C2=CC=CC3=C2C=CC=C3S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F)C(F)(F)F)OC(=O)C

DOS

IR

Vibrations