Geometry & MOs

Info

ID:

181156

PubChem CID:

76715668

Reduced:

FS2N4O7C45H51 (1)

Stoich.:

AB2C4D7E45F51 (1)

Weight, g/mol:

856.333971

ΔHf, kcal/mol:

-216.25

Dipole, Da:

6.67

IP(EA), eV:

 -8.7(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropylsulfonyl-14-[(3-fluorophenyl)methyl]-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=CC(=NC6=C5C=CC(=C6C)OC)C7=NC=CS7)C(=O)NS(=O)(=O)C8(CC8)C

DOS

IR

Vibrations