Geometry & MOs

Info

ID:	135354
PubChem CID:	51858467
Reduced:	N4O5H26C28 (1)
Stoich.:	A4B5C26D28 (1)
Weight, g/mol:	510.193691
ΔH_f, kcal/mol:	-139.54
Dipole, Da:	6.71
IP(EA), eV:	-9.25(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)CN3C(=O)[C@](NC3=O)(C)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations