Geometry & MOs

Info

ID:	63451
PubChem CID:	26758367
Reduced:	NF2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	483.230411
ΔH_f, kcal/mol:	-194.32
Dipole, Da:	4.38
IP(EA), eV:	-8.66(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-pyrimidin-2-ylpiperazin-1-yl)-[3-[[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations