Geometry & MOs

Info

ID:	321235
PubChem CID:	126665564
Reduced:	F3N4O6C24H25 (1)
Stoich.:	A3B4C6D24E25 (1)
Weight, g/mol:	388.198463
ΔH_f, kcal/mol:	-353.27
Dipole, Da:	2.42
IP(EA), eV:	-9.68(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-N-[1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-phenylpropyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1=NC=CC2=C1C=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C(=O)O)C(=O)OC(C)(C)C

DOS

IR

Vibrations