Geometry & MOs

Info

ID:	387058
PubChem CID:	134983806
Reduced:	OSN2C5H10 (4)
Stoich.:	ABC2D5E10 (4)
Weight, g/mol:	380.90343
ΔH_f, kcal/mol:	-87.4
Dipole, Da:	3.69
IP(EA), eV:	-7.69(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,5-dibromo-3,6-dimethyl-4-(nitromethyl)phenyl] acetate

Drug info:

PubChemData

Smile

C1COCCN1CN2SN(SN(SN(S2)CN3CCOCC3)CN4CCOCC4)CN5CCOCC5

DOS

IR

Vibrations