Geometry & MOs

Info

ID:	49930
PubChem CID:	11538203
Reduced:	BrON4H15C18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	384.145404
ΔH_f, kcal/mol:	81.22
Dipole, Da:	2.47
IP(EA), eV:	-9.22(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,5S,6R)-2-[(2R,3R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxyoxan-3-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=N\NC(=O)C2=CN(N=C2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations