Geometry & MOs

Info

ID:

378700

PubChem CID:

134224795

Reduced:

SN3O6C21H33 (1)

Stoich.:

AB3C6D21E33 (1)

Weight, g/mol:

425.178252

ΔHf, kcal/mol:

-241.71

Dipole, Da:

11.2

IP(EA), eV:

 -8.97(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-3-amino-N-[(Z)-1-[1-[1-(4-chloro-3-fluorophenyl)propyl]-2-methylidenepyridin-4-yl]-3-(methylideneamino)prop-2-enylidene]-N'-methylprop-2-enimidamide

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)NC(=O)C)C(CNCCC(C)(C)OCCC(C)(C)C(=O)O)C(=O)C=O

DOS

IR

Vibrations