Geometry & MOs

Info

ID:	184694
PubChem CID:	77193705
Reduced:	SF3O3N6H31C32 (1)
Stoich.:	AB3C3D6E31F32 (1)
Weight, g/mol:	461.267842
ΔH_f, kcal/mol:	-135.31
Dipole, Da:	8.07
IP(EA), eV:	-9.01(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(tert-butylamino)-4-hydroxy-6-phenyl-1-(4-pyridin-2-ylphenyl)hexan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC(=NC(=N3)N4CCN(CC4)C5=CC=CC=C5F)C6=CC=C(C=C6)F

DOS

IR

Vibrations