Geometry & MOs

Info

ID:	47365
PubChem CID:	10531909
Reduced:	BrO11H27C28 (1)
Stoich.:	AB11C27D28 (1)
Weight, g/mol:	620.309766
ΔH_f, kcal/mol:	-329.35
Dipole, Da:	4.69
IP(EA), eV:	-8.47(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O,1-O-ditert-butyl 3-O-ethyl (2S,3S)-2-(1-benzylindol-3-yl)-3-(prop-2-enoxycarbonylamino)propane-1,1,3-tricarboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C(=CC=C2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CBr

DOS

IR

Vibrations