Geometry & MOs

Info

ID:	65091
PubChem CID:	29204454
Reduced:	SN4O5C22H26 (1)
Stoich.:	AB4C5D22E26 (1)
Weight, g/mol:	428.126206
ΔH_f, kcal/mol:	-91.69
Dipole, Da:	6.27
IP(EA), eV:	-9.16(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

DOS

IR

Vibrations