Geometry & MOs

Info

ID:	133666
PubChem CID:	51570826
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	411.230411
ΔH_f, kcal/mol:	-124.34
Dipole, Da:	4.46
IP(EA), eV:	-8.8(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(2S)-1-piperidin-1-ylpropan-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)OCCCN[C@@H]1CC(=O)N(C1=O)C2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations