Geometry & MOs

Info

ID:	135356
PubChem CID:	51858787
Reduced:	SN4O5C26H30 (1)
Stoich.:	AB4C5D26E30 (1)
Weight, g/mol:	455.186535
ΔH_f, kcal/mol:	-91.32
Dipole, Da:	7.3
IP(EA), eV:	-8.6(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[3-(1H-imidazol-3-ium-3-yl)propylamino]-2-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCC4=CC(=C(C=C4)OC)OC)C#N

DOS

IR

Vibrations