Geometry & MOs

Info

ID:	178604
PubChem CID:	76355447
Reduced:	FSN3O3C25H30 (1)
Stoich.:	ABC3D3E25F30 (1)
Weight, g/mol:	408.146741
ΔH_f, kcal/mol:	-127.39
Dipole, Da:	1.88
IP(EA), eV:	-8.83(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]-N-ethyl-4-methylbenzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)F)NC(=O)C3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

DOS

IR

Vibrations