Geometry & MOs

Info

ID:	64886
PubChem CID:	29204151
Reduced:	SN2O5C20H26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	414.197714
ΔH_f, kcal/mol:	-204.81
Dipole, Da:	6.13
IP(EA), eV:	-9.16(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)[C@@H](CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations