Geometry & MOs

Info

ID:	127147
PubChem CID:	50992737
Reduced:	ClN2O7C28H31 (1)
Stoich.:	AB2C7D28E31 (1)
Weight, g/mol:	529.16478
ΔH_f, kcal/mol:	-261.84
Dipole, Da:	5.45
IP(EA), eV:	-7.94(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-benzyl-6-bromo-3-hydroxy-3-[2-tri(propan-2-yl)silyloxyprop-2-enyl]indol-2-one

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)N2C=C(C3=C2C=CC=C3Cl)CC4=CC=C(C=C4)N(C)C

DOS

IR

Vibrations