Geometry & MOs

Info

ID:	187443
PubChem CID:	77572257
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	593.06568
ΔH_f, kcal/mol:	-48.73
Dipole, Da:	4.26
IP(EA), eV:	-9.2(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodophenyl)methylamino]butan-2-yl]-2H-1,3-oxazol-2-yl]ethanesulfonamide

Drug info:

PubChemData

Smile

CC(C)CN1CC(CC1=O)CC2=CC=CC=C2

DOS

IR

Vibrations