Geometry & MOs

Info

ID:

80090

PubChem CID:

49832846

Reduced:

ClSiN3O5C37H50 (1)

Stoich.:

ABC3D5E37F50 (1)

Weight, g/mol:

432.0797

ΔHf, kcal/mol:

-250.2

Dipole, Da:

4.09

IP(EA), eV:

 -8.73(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,3R,4R)-2-N-(3-amino-3-oxopropyl)-3-N-(5-bromopyridin-2-yl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1=CC(=C(C=C1OC)NC(=O)CCCC2=CC(=C(C=C2)NC(=O)OC3CCN(CC3)C)C4=CC=CC=C4)Cl

DOS

IR

Vibrations