Geometry & MOs

Info

ID:	1497
PubChem CID:	4599
Reduced:	NO5C29H53 (1)
Stoich.:	AB5C29D53 (1)
Weight, g/mol:	495.392374
ΔH_f, kcal/mol:	-303.22
Dipole, Da:	7.5
IP(EA), eV:	-10.22(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O

DOS

IR

Vibrations