Geometry & MOs

Info

ID:

186527

PubChem CID:

77442746

Reduced:

S2N5O7C37H47 (1)

Stoich.:

A2B5C7D37E47 (1)

Weight, g/mol:

654.227884

ΔHf, kcal/mol:

-194.69

Dipole, Da:

9.47

IP(EA), eV:

 -8.7(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-[8-chloro-7-methoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,14-dioxo-3,15-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(=O)NC5(CC5C=CCCCCCC(=O)N4C3)C(=O)NS(=O)(=O)C6CC6)C7=NC(CS7)C(C)C)OC

DOS

IR

Vibrations