Geometry & MOs

Info

ID:

334618

PubChem CID:

127253293

Reduced:

SN5O7C37H39 (1)

Stoich.:

AB5C7D37E39 (1)

Weight, g/mol:

439.207133

ΔHf, kcal/mol:

-153.34

Dipole, Da:

9.61

IP(EA), eV:

 -7.86(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1S,9R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carbonyl]-6,8-difluoro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)NC4=NC(=CS4)C5=CNC6=C5C=CC(=C6)OC)OC)OC)OC

DOS

IR

Vibrations