Geometry & MOs

Info

ID:

88160

PubChem CID:

49901944

Reduced:

SN2O7H18C25 (1)

Stoich.:

AB2C7D18E25 (1)

Weight, g/mol:

550.05619

ΔHf, kcal/mol:

-103.72

Dipole, Da:

8.27

IP(EA), eV:

 -9.05(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(2-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations