Geometry & MOs

Info

ID:

87710

PubChem CID:

49896720

Reduced:

FNSO4H22C26 (1)

Stoich.:

ABCD4E22F26 (1)

Weight, g/mol:

609.064249

ΔHf, kcal/mol:

-120.61

Dipole, Da:

3.63

IP(EA), eV:

 -8.7(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-chloro-6-methoxy-4-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC)OCC4=CC=CC=C4F)/SC2=O

DOS

IR

Vibrations