Geometry & MOs

Info

ID:

169119

PubChem CID:

75067070

Reduced:

O7C27H40 (1)

Stoich.:

A7B27C40 (1)

Weight, g/mol:

821.324594

ΔHf, kcal/mol:

-268.78

Dipole, Da:

6.93

IP(EA), eV:

 -9.41(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-morpholin-4-ylethyl 1-cyclopropyl-7-[4-[4-[4-(3,4-dimethylanilino)-2,6-dioxo-1,3-diazinan-1-yl]butyl]piperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylate;dihydrochloride

Drug info:

PubChemData

Smile

CC1CC(=C)CC(C2C(O2)CC(OC(=O)C=CCCCOC1)C(C=CC3CC(=CCO3)C)O)O

DOS

IR

Vibrations