Geometry & MOs

Info

ID:	65092
PubChem CID:	29204456
Reduced:	N2O3S3C19H28 (1)
Stoich.:	A2B3C3D19E28 (1)
Weight, g/mol:	428.126206
ΔH_f, kcal/mol:	-126.97
Dipole, Da:	5.11
IP(EA), eV:	-8.42(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3S)-dithiolan-3-yl]-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCC[C@@H]3CCSS3

DOS

IR

Vibrations