Geometry & MOs

Info

ID:

88485

PubChem CID:

49903747

Reduced:

ClSN3O6H20C26 (1)

Stoich.:

ABC3D6E20F26 (1)

Weight, g/mol:

571.035536

ΔHf, kcal/mol:

-86.8

Dipole, Da:

9.74

IP(EA), eV:

 -9.25(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-methoxy-4-[(Z)-[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-])Cl

DOS

IR

Vibrations