Geometry & MOs

Info

ID:	61708
PubChem CID:	26712016
Reduced:	N2S2O5C21H26 (1)
Stoich.:	A2B2C5D21E26 (1)
Weight, g/mol:	443.151492
ΔH_f, kcal/mol:	-178.9
Dipole, Da:	3.48
IP(EA), eV:	-9.35(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)C

DOS

IR

Vibrations