Geometry & MOs

Info

ID:	190239
PubChem CID:	77974993
Reduced:	NSO6C22H27 (1)
Stoich.:	ABC6D22E27 (1)
Weight, g/mol:	402.334525
ΔH_f, kcal/mol:	-222.09
Dipole, Da:	3.13
IP(EA), eV:	-9.53(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-octadecan-3-yloxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(=CC(=O)CC3=CC=CC=C3)C2=O)C(=O)O)C.CC(C)(C)C(=O)O

DOS

IR

Vibrations