Geometry & MOs

Info

ID:

180080

PubChem CID:

76573641

Reduced:

N4O4H18C21 (1)

Stoich.:

A4B4C18D21 (1)

Weight, g/mol:

488.305767

ΔHf, kcal/mol:

-58.9

Dipole, Da:

8.78

IP(EA), eV:

 -9.31(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-hydroxy-1-[[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]amino]-1-oxopropan-2-yl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C#CC2(C(=O)NC(=O)N2)CN3CC4=C(C3=O)C=C(C=C4)OC

DOS

IR

Vibrations