Geometry & MOs

Info

ID:	135355
PubChem CID:	51858786
Reduced:	SN4O5C26H30 (1)
Stoich.:	AB4C5D26E30 (1)
Weight, g/mol:	510.193691
ΔH_f, kcal/mol:	-97.18
Dipole, Da:	8.23
IP(EA), eV:	-8.64(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[4-[(3S)-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