Geometry & MOs

Info

ID:

214770

PubChem CID:

85083609

Reduced:

SN2O7C33H36 (1)

Stoich.:

AB2C7D33E36 (1)

Weight, g/mol:

604.273084

ΔHf, kcal/mol:

-208.31

Dipole, Da:

5.74

IP(EA), eV:

 -8.57(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-tert-butyl-7-[3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl-methylamino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C1CCC(N1)CSC2=CC=CC=C2)NC(=O)C(C3(CO3)C)OC(=O)C4=CC(=CC5=C(C=CC=C45)C)OC

DOS

IR

Vibrations