Geometry & MOs

Info

ID:

181011

PubChem CID:

76715522

Reduced:

FS2N4O7C49H59 (1)

Stoich.:

AB2C4D7E49F59 (1)

Weight, g/mol:

565.315186

ΔHf, kcal/mol:

-216.54

Dipole, Da:

10.52

IP(EA), eV:

 -8.86(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[3-(benzylamino)-3-oxopropyl]carbamoyl]-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(C=C2OC3CC(N(C3)C(=O)C(CCCCCC=C)CC4=CC(=CC=C4)F)C(=O)CC5(CC5C=C)C(=O)NS(=O)(=O)C6(CC6)C)C7=NC(=CS7)C(C)C)OC

DOS

IR

Vibrations