Geometry & MOs

Info

ID:	410670
PubChem CID:	135083471
Reduced:	BrOSC16H25 (1)
Stoich.:	ABCD16E25 (1)
Weight, g/mol:	263.972208
ΔH_f, kcal/mol:	-48.99
Dipole, Da:	6.93
IP(EA), eV:	-7.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[dinitromethyl(dimethyl)-lambda4-sulfanyl] hydrogen sulfate

Drug info:

PubChemData

Smile

CCCCS(CCCC)(CC(=O)C1=CC=CC=C1)Br

DOS

IR

Vibrations