Geometry & MOs

Info

ID:	305688
PubChem CID:	124965621
Reduced:	O2N6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	440.132983
ΔH_f, kcal/mol:	-14.48
Dipole, Da:	2.6
IP(EA), eV:	-9.04(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)NC2=CC=CC(=C2)C(=O)N3CCC[C@@](C3)(C4=CC=CC=N4)C(=O)NC

DOS

IR

Vibrations