Geometry & MOs

Info

ID:	398383
PubChem CID:	135033033
Reduced:	SN2O2F3H13C15 (1)
Stoich.:	AB2C2D3E13F15 (1)
Weight, g/mol:	354.09914
ΔH_f, kcal/mol:	-108.08
Dipole, Da:	5.64
IP(EA), eV:	-8.8(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-(1,1,1-trifluoro-3-nitro-2-phenylpropan-2-yl)-4,7-dihydro-1H-indole

Drug info:

PubChemData

Smile

C1C=CCC2=C1C=C(N2)C(C[N+](=O)[O-])(C3=CSC=C3)C(F)(F)F

DOS

IR

Vibrations