Geometry & MOs

Info

ID:	170418
PubChem CID:	75231443
Reduced:	ClN3O3C27H34 (1)
Stoich.:	AB3C3D27E34 (1)
Weight, g/mol:	636.372092
ΔH_f, kcal/mol:	-116.58
Dipole, Da:	3.95
IP(EA), eV:	-8.65(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-dihydroxyethyl)-3-(3-hexadecoxy-2-hydroxypropoxy)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-furan-5-one

Drug info:

PubChemData

Smile

C1CN(CCC1C(CN2CC3(CCNCC3)C4=C2C=C(C=C4)Cl)O)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations