Geometry & MOs

Info

ID:	127175
PubChem CID:	50993376
Reduced:	ClNO4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	417.05757
ΔH_f, kcal/mol:	-121.18
Dipole, Da:	3.39
IP(EA), eV:	-8.35(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-(3-benzyl-4-bromoindol-1-yl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@H]([C@@H](O1)N2C=C(C3=C2C(=CC=C3)Cl)CC4=CC=CC=C4)O)O)O

DOS

IR

Vibrations