Geometry & MOs

Info

ID:

87957

PubChem CID:

49899034

Reduced:

INSO6H24C31 (1)

Stoich.:

ABCD6E24F31 (1)

Weight, g/mol:

543.090722

ΔHf, kcal/mol:

-117.69

Dipole, Da:

6.84

IP(EA), eV:

 -8.84(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-chloro-6-methoxy-4-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43)I)OC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations