Geometry & MOs

Info

ID:	425705
PubChem CID:	135127502
Reduced:	NOSC24H49 (1)
Stoich.:	ABCD24E49 (1)
Weight, g/mol:	443.324688
ΔH_f, kcal/mol:	-159.87
Dipole, Da:	2.28
IP(EA), eV:	-9.07(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[4-(2,4-dihydroxypentyl)-6-(2-hydroxy-3-methylbutyl)-1,3-dioxan-2-yl]butylimino]hexanal

Drug info:

PubChemData

Smile

CCCCCCCC(CCCCCCC)NC(=O)SC(CC)CC(C)CC

DOS

IR

Vibrations