Geometry & MOs

Info

ID:

320610

PubChem CID:

126662035

Reduced:

SO2N5C25H33 (1)

Stoich.:

AB2C5D25E33 (1)

Weight, g/mol:

537.331505

ΔHf, kcal/mol:

-27.54

Dipole, Da:

3.95

IP(EA), eV:

 -8.58(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3Z)-3-hydroxyiminopentyl]-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]cyclohepta-1,4,6-trien-1-yl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C=C(/C)\C1=NC(=CS1)C(=O)NC2=CC=CC=C2N3CCC(CC3)(C(=O)N)NC(C)C

DOS

IR

Vibrations