Geometry & MOs

Info

ID:

312409

PubChem CID:

126604724

Reduced:

NOS2C17H27 (1)

Stoich.:

ABC2D17E27 (1)

Weight, g/mol:

480.165369

ΔHf, kcal/mol:

-28.61

Dipole, Da:

2.25

IP(EA), eV:

 -8.03(0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[(4Z)-4-(aminomethylidene)-2-methylidene-3-sulfanylidenecyclohexylidene]-N-[(4-methylpyridin-2-yl)methyl]-2-[1-(2-methylpyridin-3-yl)oxyethylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC(C=C1CCCC2=C(C1(C)C)SN=CC2)SCOC

DOS

IR

Vibrations