Geometry & MOs

Info

ID:	327770
PubChem CID:	126691034
Reduced:	PBr2N2O3C17H31 (1)
Stoich.:	AB2C2D3E17F31 (1)
Weight, g/mol:	496.467788
ΔH_f, kcal/mol:	-221.07
Dipole, Da:	3.49
IP(EA), eV:	-8.53(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-7-[1-(7-methyltridecan-7-yloxy)ethenylsulfanyl]pentadecane

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/COC1CCOP(=O)(N1)N(CCBr)CCBr)/C)C

DOS

IR

Vibrations