Geometry & MOs

Info

ID:

176031

PubChem CID:

75984325

Reduced:

OC3H5 (14)

Stoich.:

AB3C5 (14)

Weight, g/mol:

966.369212

ΔHf, kcal/mol:

-710.18

Dipole, Da:

4.4

IP(EA), eV:

 -9.45(0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

calcium;7-[2-cyclopropyl-4-(N,4-dimethylanilino)-6-fluoroquinolin-3-yl]-3,5-dihydroxyhept-6-enoate

Drug info:

PubChemData

Smile

CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)CC(=O)C6C3(CCC6C7(CCC(O7)C(C)(C)O)C)C)C)C

DOS

IR

Vibrations