Geometry & MOs

Info

ID:	60273
PubChem CID:	26676075
Reduced:	N3S3O4H21C22 (1)
Stoich.:	A3B3C4D21E22 (1)
Weight, g/mol:	440.081776
ΔH_f, kcal/mol:	-44.69
Dipole, Da:	1.62
IP(EA), eV:	-9.12(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N(CC3=CC=CC=C3C#N)S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations