Geometry & MOs

Info

ID:	171539
PubChem CID:	75391229
Reduced:	ClFN2S2O3H8C12 (1)
Stoich.:	ABC2D2E3F8G12 (1)
Weight, g/mol:	334.098728
ΔH_f, kcal/mol:	-85.9
Dipole, Da:	4.27
IP(EA), eV:	-9.75(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-phenylpent-4-enamide

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Cl)S(=O)(=O)NC(=O)/C=C/C2=CC(=CN=C2)F

DOS

IR

Vibrations