Geometry & MOs

Info

ID:	232850
PubChem CID:	87577232
Reduced:	BrO2N4H7C8 (1)
Stoich.:	AB2C4D7E8 (1)
Weight, g/mol:	402.008794
ΔH_f, kcal/mol:	-42.06
Dipole, Da:	2.25
IP(EA), eV:	-10.36(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(methylsulfonylmethyl)-4-[[4-(methylsulfonylmethyl)phenyl]disulfanyl]benzene

Drug info:

PubChemData

Smile

CN1C2=C(C(=NC=N2)Br)C(=O)N(C1=O)C

DOS

IR

Vibrations