Geometry & MOs

Info

ID:	140647
PubChem CID:	52735374
Reduced:	O2N3C23H41 (1)
Stoich.:	A2B3C23D41 (1)
Weight, g/mol:	449.271213
ΔH_f, kcal/mol:	-149.85
Dipole, Da:	4.34
IP(EA), eV:	-8.23(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(C)(C)CNC(=O)[C@@H]2CCCN2C(=O)C3CCCCC3)C

DOS

IR

Vibrations