Geometry & MOs

Info

ID:	298637
PubChem CID:	117653179
Reduced:	Br2C10H17 (2)
Stoich.:	A2B10C17 (2)
Weight, g/mol:	489.212452
ΔH_f, kcal/mol:	-91.77
Dipole, Da:	3.51
IP(EA), eV:	-9.29(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-2-[(R)-hydroxy(phenyl)methyl]-5-[[6-[(1R,5S)-6-(tetrazol-1-yl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridin-3-yl]methyl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCC(C1=CC=CC=C1C(CCCCCC)Br)Br.Br.Br

DOS

IR

Vibrations