Geometry & MOs

Info

ID:	343279
PubChem CID:	127266452
Reduced:	BrOSN2C21H23 (1)
Stoich.:	ABCD2E21F23 (1)
Weight, g/mol:	355.099063
ΔH_f, kcal/mol:	34.34
Dipole, Da:	6.35
IP(EA), eV:	-8.31(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-3-(prop-2-enylamino)-3-sulfanylideneprop-1-en-1-olate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=[N+](C=C1)/C(=C(/C2=CC=C(C=C2)Br)\[O-])/C(=S)NCC=C

DOS

IR

Vibrations