Geometry & MOs

Info

ID:	407230
PubChem CID:	135079622
Reduced:	SO4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	445.111262
ΔH_f, kcal/mol:	-150.06
Dipole, Da:	5.25
IP(EA), eV:	-10.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-3H-indole-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\C(C)C)/S(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations