Geometry & MOs

Info

ID:	142575
PubChem CID:	53059905
Reduced:	SN2O7C22H22 (1)
Stoich.:	AB2C7D22E22 (1)
Weight, g/mol:	496.01038
ΔH_f, kcal/mol:	-175.84
Dipole, Da:	3.4
IP(EA), eV:	-8.95(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)CCC(=O)NCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations