Geometry & MOs

Info

ID:	321383
PubChem CID:	126665936
Reduced:	OF4N7H27C31 (1)
Stoich.:	AB4C7D27E31 (1)
Weight, g/mol:	395.203134
ΔH_f, kcal/mol:	-63.02
Dipole, Da:	7.35
IP(EA), eV:	-9.48(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-aminophenyl)-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

C1CC1CCC(C2=CC=C(C=C2)C#N)(C3=CC(=C(C=C3)F)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)C(=N)N)C(F)(F)F)N

DOS

IR

Vibrations