Geometry & MOs

Info

ID:

181179

PubChem CID:

76715692

Reduced:

S2N5O7C45H55 (1)

Stoich.:

A2B5C7D45E55 (1)

Weight, g/mol:

924.256026

ΔHf, kcal/mol:

-187.05

Dipole, Da:

1.98

IP(EA), eV:

 -8.55(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropylsulfonyl-14-[(3,4-dichloro-5-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=C(C=CC2=C1N=C(C=C2OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=CC=CC=C6)C(=O)NS(=O)(=O)N(C)C)C7=NC(=CS7)C(C)C)OC

DOS

IR

Vibrations