Geometry & MOs

Info

ID:	219912
PubChem CID:	85165035
Reduced:	BrO7C32H39 (1)
Stoich.:	AB7C32D39 (1)
Weight, g/mol:	615.291765
ΔH_f, kcal/mol:	-233.46
Dipole, Da:	3.56
IP(EA), eV:	-9.26(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-[1-(butylamino)-1-oxopropan-2-yl]tetrazol-5-yl]-1-hydroxy-3-phenylpropan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide

Drug info:

PubChemData

Smile

CC(CBr)(OC)OC1C(C(C(OC1OC)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations