Geometry & MOs

Info

ID:	409796
PubChem CID:	135082581
Reduced:	BrSO2N4H13C22 (1)
Stoich.:	ABC2D4E13F22 (1)
Weight, g/mol:	188.102127
ΔH_f, kcal/mol:	179.44
Dipole, Da:	1.58
IP(EA), eV:	-8.45(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC2=C/C(=C/C=C\3/C(=O)N4C(=NN3)SC(=N4)C5=CC(=CC=C5)Br)/C(=O)C=C2C=C1

DOS

IR

Vibrations