Geometry & MOs

Info

ID:	234420
PubChem CID:	92298400
Reduced:	ClSN2O2C16H19 (1)
Stoich.:	ABC2D2E16F19 (1)
Weight, g/mol:	428.282112
ΔH_f, kcal/mol:	-60.04
Dipole, Da:	4.96
IP(EA), eV:	-8.89(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl)C

DOS

IR

Vibrations