Geometry & MOs

Info

ID:

87101

PubChem CID:

49892091

Reduced:

ClFISN2O5H23C28 (1)

Stoich.:

ABCDE2F5G23H28 (1)

Weight, g/mol:

464.120607

ΔHf, kcal/mol:

-163.17

Dipole, Da:

3.12

IP(EA), eV:

 -8.86(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[3-[(Z)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)I)OCC(=O)NC4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations