Geometry & MOs

Info

ID:	64147
PubChem CID:	29196681
Reduced:	SO4N5C17H27 (1)
Stoich.:	AB4C5D17E27 (1)
Weight, g/mol:	437.17329
ΔH_f, kcal/mol:	-74.87
Dipole, Da:	6.84
IP(EA), eV:	-9.91(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NCCC(C)C

DOS

IR

Vibrations