Geometry & MOs

Info

ID:	329278
PubChem CID:	126733872
Reduced:	FON3C10H10 (2)
Stoich.:	ABC3D10E10 (2)
Weight, g/mol:	478.05733
ΔH_f, kcal/mol:	-72.34
Dipole, Da:	5.62
IP(EA), eV:	-8.88(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(5-bromo-2-fluorophenyl)-4-cyano-5-hydroxy-4-methylsulfonylpentyl]carbamate

Drug info:

PubChemData

Smile

C[C@]1(C[C@@H]([C@@](N=C1N)(C)C2=C(C=CC(=C2)NC(=O)C3=CN=C(C=N3)OC)F)F)C#N

DOS

IR

Vibrations