Geometry & MOs

Info

ID:	394356
PubChem CID:	135022808
Reduced:	O4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	438.174596
ΔH_f, kcal/mol:	-114.94
Dipole, Da:	3.81
IP(EA), eV:	-9.49(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,6R)-3-[(2S,4R,5S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]sulfanyl-6-methyloxan-2-yl]sulfanyl-6-methoxy-2-methyloxan-4-ol

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations