Geometry & MOs

Info

ID:

87948

PubChem CID:

49898880

Reduced:

SN2O4H28C34 (1)

Stoich.:

AB2C4D28E34 (1)

Weight, g/mol:

508.145678

ΔHf, kcal/mol:

-37.01

Dipole, Da:

9.53

IP(EA), eV:

 -8.46(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-methylphenyl)-2-[2-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)OC3=CC=C(C=C3)OC)C)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations