Geometry & MOs

Info

ID:	64821
PubChem CID:	29204045
Reduced:	SN2O3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	338.166414
ΔH_f, kcal/mol:	-135.49
Dipole, Da:	2.77
IP(EA), eV:	-9.42(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

DOS

IR

Vibrations