Geometry & MOs

Info

ID:	446372
PubChem CID:	135274495
Reduced:	NO3C13H24 (2)
Stoich.:	AB3C13D24 (2)
Weight, g/mol:	318.241494
ΔH_f, kcal/mol:	-290.05
Dipole, Da:	5.31
IP(EA), eV:	-8.53(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-3-[[(4-methyl-2-propan-2-ylpentyl)disulfanyl]methyl]hexane

Drug info:

PubChemData

Smile

CC(C)C(=O)CN(CCOCCOCCN(CC(=O)C(C)C)CC(=O)C(C)C)CC(=O)C(C)C

DOS

IR

Vibrations