Geometry & MOs

Info

ID:	380316
PubChem CID:	134970726
Reduced:	O10C21H26 (1)
Stoich.:	A10B21C26 (1)
Weight, g/mol:	402.150095
ΔH_f, kcal/mol:	-421.41
Dipole, Da:	1.03
IP(EA), eV:	-9.42(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,8aR)-6-ethylsulfanyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)OC(=O)C)OC(=O)C)OCC2=CC=CC=C2)OC(=O)C

DOS

IR

Vibrations