Geometry & MOs

Info

ID:

88460

PubChem CID:

49903615

Reduced:

SN4O8H16C23 (1)

Stoich.:

AB4C8D16E23 (1)

Weight, g/mol:

508.07405

ΔHf, kcal/mol:

-49.59

Dipole, Da:

8.84

IP(EA), eV:

 -9.41(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-methoxy-4-[(Z)-[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-fluorobenzoate

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-])OC4=C(C=CC=N4)[N+](=O)[O-]

DOS

IR

Vibrations