Geometry & MOs

Info

ID:

87329

PubChem CID:

49894064

Reduced:

SN3O5H25C28 (1)

Stoich.:

AB3C5D25E28 (1)

Weight, g/mol:

558.101621

ΔHf, kcal/mol:

-121.17

Dipole, Da:

10.39

IP(EA), eV:

 -8.78(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations