Geometry & MOs

Info

ID:

171020

PubChem CID:

75312726

Reduced:

ClSO4N5C15H15 (1)

Stoich.:

ABC4D5E15F15 (1)

Weight, g/mol:

508.163707

ΔHf, kcal/mol:

2.29

Dipole, Da:

6.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750022

Charge, e:

 -1

Chem-info

IUPAC name:

5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[di(propan-2-yl)amino]ethyl]-2-phenylimino-1,3-thiazolidin-4-one;chloride

Drug info:

PubChemData

Smile

C=C1C(=O)N=C(N=N1)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3.[Cl-]

DOS

IR

Vibrations