Geometry & MOs

Info

ID:	331635
PubChem CID:	127249718
Reduced:	SO2N6C20H28 (1)
Stoich.:	AB2C6D20E28 (1)
Weight, g/mol:	415.201968
ΔH_f, kcal/mol:	-18.28
Dipole, Da:	5.98
IP(EA), eV:	-8.8(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[6-[(5-fluoropyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CN2CCOC(C2)C3=NC(=CC=C3)NC4=NN=C(S4)C

DOS

IR

Vibrations