Geometry & MOs

Info

ID:	325177
PubChem CID:	126681799
Reduced:	FO2N5C29H34 (1)
Stoich.:	AB2C5D29E34 (1)
Weight, g/mol:	321.131112
ΔH_f, kcal/mol:	-42.15
Dipole, Da:	4.52
IP(EA), eV:	-9.23(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-N-[(3-amino-4-fluorophenyl)-pyridin-4-ylmethyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C(CCC3CC3)N4CCCCC4=O)F)C5=CC=CC(=C5)CN

DOS

IR

Vibrations