Geometry & MOs

Info

ID:	331631
PubChem CID:	127249714
Reduced:	SO3N6C21H24 (1)
Stoich.:	AB3C6D21E24 (1)
Weight, g/mol:	427.238353
ΔH_f, kcal/mol:	-12.42
Dipole, Da:	3.11
IP(EA), eV:	-8.36(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[2-[6-[(5-fluoropyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC2=CC=CC(=N2)C3CN(CCO3)CC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations