Geometry & MOs

Info

ID:

88029

PubChem CID:

49900032

Reduced:

ClNSO4H26C32 (1)

Stoich.:

ABCD4E26F32 (1)

Weight, g/mol:

542.106706

ΔHf, kcal/mol:

-50.78

Dipole, Da:

2.02

IP(EA), eV:

 -8.86(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OCC2=CC=C(C=C2)Cl)CC=C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations