Geometry & MOs

Info

ID:

441154

PubChem CID:

135233355

Reduced:

OSN4C24H36 (1)

Stoich.:

ABC4D24E36 (1)

Weight, g/mol:

471.24433

ΔHf, kcal/mol:

-32.83

Dipole, Da:

5.18

IP(EA), eV:

 -8.17(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[(E)-1-hydroxy-2-methyl-3-[3-methyl-5-(4-methylpentyl)thiophen-2-yl]prop-2-enylidene]-6-[(E)-6-(methylamino)hex-5-en-2-yl]pyran-2,4-dione

Drug info:

PubChemData

Smile

CC1(CCC(CC1NC(=O)C2=CSC=C2)C3=NC(=C(C=C3)NCC(C)(C)C)NC)C

DOS

IR

Vibrations