Geometry & MOs

Info

ID:	51522
PubChem CID:	12014204
Reduced:	BrN2O2S2H19C23 (1)
Stoich.:	AB2C2D2E19F23 (1)
Weight, g/mol:	630.03956
ΔH_f, kcal/mol:	31.18
Dipole, Da:	2.36
IP(EA), eV:	-8.36(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC(=O)C(=NC1=CC=CC=C1S)CC(=NC2=CC=CC=C2S)C3=CC=C(C=C3)Br

DOS

IR

Vibrations