Geometry & MOs

Info

ID:

171138

PubChem CID:

75332767

Reduced:

ClFNSO3H19C28 (1)

Stoich.:

ABCDE3F19G28 (1)

Weight, g/mol:

498.081634

ΔHf, kcal/mol:

-69.15

Dipole, Da:

5.66

IP(EA), eV:

 -8.9(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)COC3=CC=C(C=C3)C=C4C(=O)N(C(=O)S4)CC5=C(C=C(C=C5)F)Cl

DOS

IR

Vibrations