Geometry & MOs

Info

ID:	61717
PubChem CID:	26712102
Reduced:	SN3O5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	430.156243
ΔH_f, kcal/mol:	-108.9
Dipole, Da:	3.45
IP(EA), eV:	-9.46(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]carbamoyl]benzoate

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)[N+](=O)[O-])C)C

DOS

IR

Vibrations