Geometry & MOs

Info

ID:	395360
PubChem CID:	135025268
Reduced:	BrOC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	583.257003
ΔH_f, kcal/mol:	-54.08
Dipole, Da:	4.22
IP(EA), eV:	-9.73(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-4,5-bis(phenylmethoxy)-3-(phenylmethoxymethyl)cyclopentyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C(CCCC1)Br

DOS

IR

Vibrations