Geometry & MOs

Info

ID:	419277
PubChem CID:	135107880
Reduced:	N2O2F3C18H19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	426.204925
ΔH_f, kcal/mol:	-217.39
Dipole, Da:	2.71
IP(EA), eV:	-9.27(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)CCC(F)(F)F)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations