Geometry & MOs

Info

ID:	43295
PubChem CID:	10320848
Reduced:	N2S2O4C21H28 (1)
Stoich.:	A2B2C4D21E28 (1)
Weight, g/mol:	437.173371
ΔH_f, kcal/mol:	-147.66
Dipole, Da:	6.64
IP(EA), eV:	-9.12(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

difluoroboranyl 7-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@]12C[C@@H]([C@@](N(C1=O)C)(N(C2=O)C3CCCCC3)SC)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations