Geometry & MOs

Info

ID:

123870

PubChem CID:

50863430

Reduced:

ClFSN3O3C27H29 (1)

Stoich.:

ABCD3E3F27G29 (1)

Weight, g/mol:

545.130668

ΔHf, kcal/mol:

-146.53

Dipole, Da:

8.86

IP(EA), eV:

 -8.16(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[(5E)-5-[(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=C/3\C(=O)N(C(=O)S3)CC(=O)NC4=CC=C(C=C4)F)C(CC1(C)C)C

DOS

IR

Vibrations