Geometry & MOs

Info

ID:	232018
PubChem CID:	87575152
Reduced:	PO2C18H41 (1)
Stoich.:	AB2C18D41 (1)
Weight, g/mol:	454.340673
ΔH_f, kcal/mol:	-185.37
Dipole, Da:	5.6
IP(EA), eV:	-8.76(2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S,5R)-5-[(2,2-dimethylhexanoylamino)methyl]-4-(2-formyl-3-methylbutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCP(CCCC)(CCCC)(CCCC)OCCO

DOS

IR

Vibrations