Geometry & MOs

Info

ID:	321256
PubChem CID:	126665614
Reduced:	O3F4N5C32H33 (1)
Stoich.:	A3B4C5D32E33 (1)
Weight, g/mol:	403.209362
ΔH_f, kcal/mol:	-173.01
Dipole, Da:	4.31
IP(EA), eV:	-8.23(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-N-[1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-(2-methylpyridin-4-yl)propyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CCCN(C1=CC=CC=C1)C2=CC(=CC=C2)N(C(=O)C3=CC(=NN3C4=CC=CC(=C4)CNC(=O)OC(C)(C)C)C(F)(F)F)F

DOS

IR

Vibrations