Geometry & MOs

Info

ID:	401641
PubChem CID:	135051955
Reduced:	N4O4H16C21 (1)
Stoich.:	A4B4C16D21 (1)
Weight, g/mol:	268.9656
ΔH_f, kcal/mol:	85.73
Dipole, Da:	4.69
IP(EA), eV:	-9.38(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(dimethylamino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;bromide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C(\C(=O)C2=CC=CC=C2)/N=O)/NNC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations