Geometry & MOs

Info

ID:	243093
PubChem CID:	99215487
Reduced:	O2F3N6H11C15 (1)
Stoich.:	A2B3C6D11E15 (1)
Weight, g/mol:	445.214761
ΔH_f, kcal/mol:	-49.29
Dipole, Da:	6.5
IP(EA), eV:	-9.87(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methylpyridin-2-yl)-1-[5-[[(2R)-pentan-2-yl]sulfamoyl]pyridin-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)NCC2=CN=C(C=C2)N3C=NC=N3

DOS

IR

Vibrations