Geometry & MOs

Info

ID:

88089

PubChem CID:

49900772

Reduced:

ClSN2O4H25C28 (1)

Stoich.:

ABC2D4E25F28 (1)

Weight, g/mol:

493.146013

ΔHf, kcal/mol:

-104.99

Dipole, Da:

2.41

IP(EA), eV:

 -8.74(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[(3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-6-oxocyclohexa-1,4-dien-1-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4C)Cl

DOS

IR

Vibrations