Geometry & MOs

Info

ID:	243977
PubChem CID:	99303081
Reduced:	ClSN3O4C20H28 (1)
Stoich.:	ABC3D4E20F28 (1)
Weight, g/mol:	441.158597
ΔH_f, kcal/mol:	-171.68
Dipole, Da:	2.01
IP(EA), eV:	-9.65(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[(2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoyl]-N-propylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations