Geometry & MOs

Info

ID:

223933

PubChem CID:

85335795

Reduced:

N6O9C39H50 (1)

Stoich.:

A6B9C39D50 (1)

Weight, g/mol:

746.346169

ΔHf, kcal/mol:

-364.5

Dipole, Da:

2.85

IP(EA), eV:

 -9.63(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[2-(2-acetamido-1,3-thiazol-4-yl)-7-methoxyquinolin-4-yl]oxy-14-(3,3-dimethylbutan-2-ylamino)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CO)N

DOS

IR

Vibrations