Geometry & MOs

Info

ID:

327556

PubChem CID:

126690327

Reduced:

SN2O4C20H28 (1)

Stoich.:

AB2C4D20E28 (1)

Weight, g/mol:

584.270879

ΔHf, kcal/mol:

-141.53

Dipole, Da:

5.5

IP(EA), eV:

 -8.29(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropyl-4-methyl-3-[(E)-2-[(2E)-3-methyl-2-[1-(pentylideneamino)-3-(3,4,5-trimethoxyphenyl)prop-2-ynylidene]-3H-thiophen-4-yl]ethenyl]benzamide

Drug info:

PubChemData

Smile

CC(CN(CC(C)OC(=O)C(=C)C)SC1=CC=C(C=C1)N)OC(=O)C(=C)C

DOS

IR

Vibrations