Geometry & MOs

Info

ID:	343278
PubChem CID:	127266451
Reduced:	NCl2O3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	430.07145
ΔH_f, kcal/mol:	-47.38
Dipole, Da:	5.83
IP(EA), eV:	-7.99(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(4-bromophenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanylideneprop-1-en-1-olate

Drug info:

PubChemData

Smile

CCOC1=C/C(=C\C=C/2\C=CC3=C(N2)C(=C(C=C3Cl)Cl)O)/C=CC1=O

DOS

IR

Vibrations