Geometry & MOs

Info

ID:	402986
PubChem CID:	135058157
Reduced:	NSBr2F3O4H14C17 (1)
Stoich.:	ABC2D3E4F14G17 (1)
Weight, g/mol:	368.192005
ΔH_f, kcal/mol:	-265.48
Dipole, Da:	5.64
IP(EA), eV:	-9.73(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydroindol-1-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)O[C@@H](C2=CC=C(C=C2)Br)[C@@H](CNS(=O)(=O)C(F)(F)F)Br

DOS

IR

Vibrations