Geometry & MOs

Info

ID:	234705
PubChem CID:	92303348
Reduced:	PSN3O5C16H29 (1)
Stoich.:	ABC3D5E16F29 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-250.25
Dipole, Da:	0.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.775240
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R,5R)-4-ethenyl-2-phenyl-1,3-dioxan-5-ol

Drug info:

PubChemData

Smile

C1[C@H]2[C@H]([C@@H](S1)CCCCC(=O)NCCCCCCO[P+](=O)O)NC(=O)N2

DOS

IR

Vibrations