Geometry & MOs

Info

ID:

25921

PubChem CID:

633837

Reduced:

OBr2N2H10C15 (1)

Stoich.:

AB2C2D10E15 (1)

Weight, g/mol:

631.398522

ΔHf, kcal/mol:

35.1

Dipole, Da:

4.04

IP(EA), eV:

 -9.52(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-(methoxymethoxy)-6,10-dimethyl-5-[1-[3-(3-methylbutan-2-yl)oxiran-2-yl]ethyl]-18-phenyl-16,18,20-triazahexacyclo[13.5.2.01,9.02,6.010,15.016,20]docos-21-ene-17,19-dione

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC(=CC=C3)Br

DOS

IR

Vibrations