Geometry & MOs

Info

ID:	401320
PubChem CID:	135050906
Reduced:	BrOSN2H19C23 (1)
Stoich.:	ABCD2E19F23 (1)
Weight, g/mol:	308.018676
ΔH_f, kcal/mol:	69.39
Dipole, Da:	4.02
IP(EA), eV:	-8.39(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3-azaniumylidene-3-methoxypropyl)disulfanyl]-1-methoxypropylidene]azanium;dichloride

Drug info:

PubChemData

Smile

C1COC=CN1C(=S)/C(=C\NC2=CC=C(C=C2)Br)/C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations