Geometry & MOs

Info

ID:

88002

PubChem CID:

49899608

Reduced:

SCl2N3O7H19C26 (1)

Stoich.:

AB2C3D7E19F26 (1)

Weight, g/mol:

606.008899

ΔHf, kcal/mol:

-126.02

Dipole, Da:

5.17

IP(EA), eV:

 -9.26(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[(Z)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl)OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations