Geometry & MOs

Info

ID:

171211

PubChem CID:

75344057

Reduced:

SN4O5C28H28 (1)

Stoich.:

AB4C5D28E28 (1)

Weight, g/mol:

464.151826

ΔHf, kcal/mol:

-52.1

Dipole, Da:

12.63

IP(EA), eV:

 -8.48(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[3-[(3,4-dimethylphenyl)hydrazinylidene]-6-oxocyclohexa-1,4-dien-1-yl]methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C)C=C4C(=O)N(C(=O)S4)CCOC5=CC=CC=C5

DOS

IR

Vibrations