Geometry & MOs

Info

ID:	42496
PubChem CID:	8149623
Reduced:	SN3O3C21H26 (1)
Stoich.:	AB3C3D21E26 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-23.7
Dipole, Da:	6.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752891
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-carbamoyl-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=C(O2)NCCC[NH+](C)C)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations