Geometry & MOs

Info

ID:	159099
PubChem CID:	57260154
Reduced:	ClSF2N2O3C30H31 (1)
Stoich.:	ABC2D2E3F30G31 (1)
Weight, g/mol:	333.097663
ΔH_f, kcal/mol:	-132.12
Dipole, Da:	5.98
IP(EA), eV:	-8.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-hydroxy-3-phenylpropylidene)-6-(trifluoromethyl)-1H-indol-2-one

Drug info:

PubChemData

Smile

CS(=O)(=O)C1(CN(C1=C)[C@H](C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)CO)CN4CCCC4)C5=CC(=CC(=C5)F)F

DOS

IR

Vibrations