Geometry & MOs

Info

ID:	147738
PubChem CID:	53787396
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	488.334919
ΔH_f, kcal/mol:	-73.53
Dipole, Da:	4.58
IP(EA), eV:	-9.05(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-3-decanoyloxy-4,5,6-trihydroxy-1-oxohexan-2-yl] decanoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C2=C(SC=C2C)NC(=O)C)C)CO

DOS

IR

Vibrations