Geometry & MOs

Info

ID:

181074

PubChem CID:

76715586

Reduced:

SN4O6C40H50 (1)

Stoich.:

AB4C6D40E50 (1)

Weight, g/mol:

894.344455

ΔHf, kcal/mol:

-165.11

Dipole, Da:

4.15

IP(EA), eV:

 -8.71(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=CC=CC=C6)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations