Geometry & MOs

Info

ID:	325242
PubChem CID:	126682252
Reduced:	BrSO2C21H21 (1)
Stoich.:	ABC2D21E21 (1)
Weight, g/mol:	398.178812
ΔH_f, kcal/mol:	-23.44
Dipole, Da:	2.45
IP(EA), eV:	-8.81(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S,5R)-2-[(3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(S2)C(C3=C(C=CC(=C3)Br)C)(OC)OC

DOS

IR

Vibrations