Geometry & MOs

Info

ID:

88479

PubChem CID:

49903696

Reduced:

ClSN4O5H17C24 (1)

Stoich.:

ABC4D5E17F24 (1)

Weight, g/mol:

574.027136

ΔHf, kcal/mol:

-4.17

Dipole, Da:

12.94

IP(EA), eV:

 -8.98(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-chloro-6-ethoxy-4-[(Z)-[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] benzenesulfonate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N/N=C/2\C=CC(=O)C(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-])Cl

DOS

IR

Vibrations