Geometry & MOs

Info

ID:

181035

PubChem CID:

76715547

Reduced:

FSN3O6C40H46 (1)

Stoich.:

ABC3D6E40F46 (1)

Weight, g/mol:

775.329122

ΔHf, kcal/mol:

-212.02

Dipole, Da:

5.99

IP(EA), eV:

 -9.2(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-N-cyclopropylsulfonyl-18-(7-methoxy-2-phenylquinolin-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=CC(=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC=CC6=CC=CC=C65)C(=O)NS(=O)(=O)C7(CC7)C)F

DOS

IR

Vibrations