Geometry & MOs

Info

ID:	381070
PubChem CID:	134971701
Reduced:	O2N5C28H47 (1)
Stoich.:	A2B5C28D47 (1)
Weight, g/mol:	209.95277
ΔH_f, kcal/mol:	-108.9
Dipole, Da:	3.09
IP(EA), eV:	-8.47(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-5-(bromomethyl)-3,4-dihydroxyoxolan-2-one

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H](CC1=CC=C(C=C1)C)C(=O)N2CCC(CC2)CCN3CCN(CC3)CCNC

DOS

IR

Vibrations