Geometry & MOs

Info

ID:	168669
PubChem CID:	74999986
Reduced:	SN5O6C27H35 (1)
Stoich.:	AB5C6D27E35 (1)
Weight, g/mol:	459.137654
ΔH_f, kcal/mol:	-189.69
Dipole, Da:	5.93
IP(EA), eV:	-9.03(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[6-fluoro-7-[3-methoxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CS(=O)(=O)C=CNC(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(=O)NN3CCOCC3

DOS

IR

Vibrations