Geometry & MOs

Info

ID:	269085
PubChem CID:	103611823
Reduced:	SN2O2C13H28 (1)
Stoich.:	AB2C2D13E28 (1)
Weight, g/mol:	412.91189
ΔH_f, kcal/mol:	-128.77
Dipole, Da:	5.19
IP(EA), eV:	-8.93(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-4-[[(1,1-dioxothiolan-3-yl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CC1CC(CC(C1)(C)C)NCCCNS(=O)(=O)C

DOS

IR

Vibrations