Geometry & MOs

Info

ID:	47294
PubChem CID:	10531280
Reduced:	Br3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	579.258065
ΔH_f, kcal/mol:	-168.86
Dipole, Da:	2.52
IP(EA), eV:	-9.29(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,4R,5S)-2-azido-3,5-bis[(3,4-dimethoxyphenyl)methoxy]-4-(phenylmethoxymethyl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1=C2[C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C(=O)C2=C(C(=C1Br)O)Br)Br)CC[C@@H]4OC(=O)C)C

DOS

IR

Vibrations