Geometry & MOs

Info

ID:

181045

PubChem CID:

76715557

Reduced:

BrS2N3O6C38H44 (1)

Stoich.:

AB2C3D6E38F44 (1)

Weight, g/mol:

523.304621

ΔHf, kcal/mol:

-158.02

Dipole, Da:

9.91

IP(EA), eV:

 -9.54(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(benzylamino)-3-oxopropyl]-18-hydroxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC5=NC6=C(S5)C=C(C=C6)Br)CCC7=CC=CC=C7

DOS

IR

Vibrations