Geometry & MOs

Info

ID:

87979

PubChem CID:

49899276

Reduced:

BrClNSO5H21C30 (1)

Stoich.:

ABCDE5F21G30 (1)

Weight, g/mol:

588.016092

ΔHf, kcal/mol:

-97.77

Dipole, Da:

2.58

IP(EA), eV:

 -8.97(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)Br)OC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations