Geometry & MOs

Info

ID:	84014
PubChem CID:	49863259
Reduced:	F3N3O5H18C22 (1)
Stoich.:	A3B3C5D18E22 (1)
Weight, g/mol:	474.137811
ΔH_f, kcal/mol:	-263.32
Dipole, Da:	6.83
IP(EA), eV:	-10.11(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[2,5-bis(trifluoromethyl)phenyl]carbamoyl]-2,3-dihydroindole-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@]12[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC(=C(C=C4)C#N)C(F)(F)F)[C@@](O1)(C(=O)N(C2=O)CC5CC5)C

DOS

IR

Vibrations