Geometry & MOs

Info

ID:	227972
PubChem CID:	87563151
Reduced:	ClFON2H22C23 (1)
Stoich.:	ABCD2E22F23 (1)
Weight, g/mol:	360.163791
ΔH_f, kcal/mol:	-36.77
Dipole, Da:	7.07
IP(EA), eV:	-8.68(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[6-(4-fluorophenyl)-2,3-dihydroindol-1-yl]-3-phenylpropanal

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)C3=CC=C(C=C3)F)C(C4=CC=CC=C4)[C@@H](C=O)N.Cl

DOS

IR

Vibrations