Geometry & MOs

Info

ID:	424081
PubChem CID:	135121254
Reduced:	BrSO2N6C23H27 (1)
Stoich.:	ABC2D6E23F27 (1)
Weight, g/mol:	379.180839
ΔH_f, kcal/mol:	31.34
Dipole, Da:	13.75
IP(EA), eV:	-8.07(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-fluorophenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

C[C@@H]1COCCN1C2=NC3=C(C=CN=C3C4CCNN4)C(=C2)N=S(=O)(C)C5=CC=C(C=C5)Br

DOS

IR

Vibrations