Geometry & MOs

Info

ID:	17072
PubChem CID:	483153
Reduced:	F2N3O4C18H19 (1)
Stoich.:	A2B3C4D18E19 (1)
Weight, g/mol:	379.134362
ΔH_f, kcal/mol:	-192.31
Dipole, Da:	12.4
IP(EA), eV:	-9.07(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CO[C@H]1CN(C[C@@H]1N)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

DOS

IR

Vibrations