Geometry & MOs

Info

ID:

328854

PubChem CID:

126728368

Reduced:

N4H96C101 (1)

Stoich.:

A4B96C101 (1)

Weight, g/mol:

513.219846

ΔHf, kcal/mol:

254.71

Dipole, Da:

1.13

IP(EA), eV:

 -7.6(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[2-[[4-[(4-ethyl-2-phenylphenyl)methylamino]cyclohexyl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCCCCCC1(C2=C(C=CC(=C2)N(C3=CC=CC=C3)C4=CC=CC(=C4)C)C5=C1C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC(=C7)CC8=CC(=CC=C8)N(C9=CC1=C(C=C9)C2=C(C1C)C=C(C=C2)N(C1=CC=CC=C1)C1=CC=CC2=CC=CC=C21)C1=CC=CC2=CC=CC=C21)CCCCCCCC

DOS

IR

Vibrations