Geometry & MOs

Info

ID:	44052
PubChem CID:	10500620
Reduced:	SN2O5C18H34 (1)
Stoich.:	AB2C5D18E34 (1)
Weight, g/mol:	390.298139
ΔH_f, kcal/mol:	-287.75
Dipole, Da:	2.19
IP(EA), eV:	-8.41(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,6,6,9,9-hexapropyl-1,2,4,5,7,8-hexaoxonane

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@@H](C(C)(C)SC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations