Geometry & MOs

Info

ID:

88056

PubChem CID:

49900330

Reduced:

NSCl2O5H19C26 (1)

Stoich.:

ABC2D5E19F26 (1)

Weight, g/mol:

638.90764

ΔHf, kcal/mol:

-127.58

Dipole, Da:

4.71

IP(EA), eV:

 -9.1(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=CC=C4Cl)Cl)OC

DOS

IR

Vibrations