Geometry & MOs

Info

ID:

180845

PubChem CID:

76693856

Reduced:

Cl2O5N9H25C26 (1)

Stoich.:

A2B5C9D25E26 (1)

Weight, g/mol:

620.400935

ΔHf, kcal/mol:

-64.79

Dipole, Da:

4.92

IP(EA), eV:

 -8.61(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-adamantylmethyl)-2-[3-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide

Drug info:

PubChemData

Smile

COC(=O)NC1=CC=C(C=C1)C2=C(NC(=N2)C(CC(=O)NCCO)NC(=O)C=CC3=C(C=CC(=C3)Cl)N4C=NN=N4)Cl

DOS

IR

Vibrations