Geometry & MOs

Info

ID:	140848
PubChem CID:	52769087
Reduced:	NSO6H23C25 (1)
Stoich.:	ABC6D23E25 (1)
Weight, g/mol:	400.125692
ΔH_f, kcal/mol:	-179.92
Dipole, Da:	10.93
IP(EA), eV:	-8.93(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCCC2=O)S(=O)(=O)OC3=C(C=CC(=C3)OC)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations