Geometry & MOs

Info

ID:

88477

PubChem CID:

49903686

Reduced:

SN2O7H18C25 (1)

Stoich.:

AB2C7D18E25 (1)

Weight, g/mol:

585.99648

ΔHf, kcal/mol:

-103.94

Dipole, Da:

7.84

IP(EA), eV:

 -9.09(-1.34)

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]-2-chloro-6-methoxyphenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=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