Geometry & MOs

Info

ID:	424080
PubChem CID:	135121219
Reduced:	FON6C22H25 (1)
Stoich.:	ABC6D22E25 (1)
Weight, g/mol:	530.10996
ΔH_f, kcal/mol:	10.57
Dipole, Da:	5.71
IP(EA), eV:	-8.55(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-pyrazolidin-3-yl-1,7-naphthyridin-4-yl]imino]-oxo-lambda6-sulfane

Drug info:

PubChemData

Smile

C[C@@H]1COCCN1C2=NC3=C(C=CN=C3C4CCNN4)C(=C2)C5=C(C=CN=C5F)C

DOS

IR

Vibrations