Geometry & MOs

Info

ID:

181210

PubChem CID:

76715723

Reduced:

BrSN2O5C34H37 (1)

Stoich.:

ABC2D5E34F37 (1)

Weight, g/mol:

575.230136

ΔHf, kcal/mol:

-122.93

Dipole, Da:

6.01

IP(EA), eV:

 -9.47(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-amino-2-oxoethoxy)phenyl]sulfonyl-18-hydroxy-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)CCC4=CC=CC=C4)OC5=NC6=C(S5)C=C(C=C6)Br)C(=O)O

DOS

IR

Vibrations