Geometry & MOs

Info

ID:	177115
PubChem CID:	76136470
Reduced:	IN3O9C22H32 (1)
Stoich.:	AB3C9D22E32 (1)
Weight, g/mol:	414.261754
ΔH_f, kcal/mol:	-372.03
Dipole, Da:	3.92
IP(EA), eV:	-9.6(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dihydroxyoctadecanoyl)-3-hydroxyoxolane-2,4-dione

Drug info:

PubChemData

Smile

CCC(CC)(COC)COC(=O)NC1=NC(=O)N(C=C1I)C2C(C(C(O2)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations