Geometry & MOs

Info

ID:	64820
PubChem CID:	29204044
Reduced:	N2O5C22H34 (1)
Stoich.:	A2B5C22D34 (1)
Weight, g/mol:	338.166414
ΔH_f, kcal/mol:	-215.51
Dipole, Da:	2.4
IP(EA), eV:	-8.86(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzylsulfonyl-N-[(2R)-butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)[C@H](C(C)C)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C

DOS

IR

Vibrations