Geometry & MOs

Info

ID:	158837
PubChem CID:	56479535
Reduced:	FON4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	457.178376
ΔH_f, kcal/mol:	-3.15
Dipole, Da:	5.31
IP(EA), eV:	-7.8(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)CNC2=CC=C(C=C2)NC(=O)C3=NN(C=C3)C4=CC=CC=C4F

DOS

IR

Vibrations