Geometry & MOs

Info

ID:	139990
PubChem CID:	52627625
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	427.196334
ΔH_f, kcal/mol:	-67.62
Dipole, Da:	1.95
IP(EA), eV:	-8.47(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)NC[C@@H](C3=CC=CO3)N4CCCC4

DOS

IR

Vibrations