Geometry & MOs

Info

ID:	156856
PubChem CID:	56394752
Reduced:	ClSN3O6C19H26 (1)
Stoich.:	ABC3D6E19F26 (1)
Weight, g/mol:	411.273321
ΔH_f, kcal/mol:	-253.18
Dipole, Da:	4.52
IP(EA), eV:	-9.19(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[methyl-[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)CN(C)C(=O)C2=CC(=C(C=C2)Cl)NS(=O)(=O)C

DOS

IR

Vibrations