Geometry & MOs

Info

ID:

88019

PubChem CID:

49899935

Reduced:

ClNSO5H20C29 (1)

Stoich.:

ABCD5E20F29 (1)

Weight, g/mol:

565.042057

ΔHf, kcal/mol:

-97.68

Dipole, Da:

5.89

IP(EA), eV:

 -8.89(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-methoxy-5-[(Z)-[3-(naphthalen-2-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4)Cl

DOS

IR

Vibrations