Geometry & MOs

Info

ID:

214867

PubChem CID:

85083770

Reduced:

O4N6H36C37 (1)

Stoich.:

A4B6C36D37 (1)

Weight, g/mol:

628.326085

ΔHf, kcal/mol:

-51.0

Dipole, Da:

4.89

IP(EA), eV:

 -8.97(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[2-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

C1C(N(CC2=CC=CC=C21)C(=O)C(CC3=CC=C(C=C3)O)N)C4=NC(=C(N4)C(=O)NC(CC5=CC=CC=C5)C(=O)N)C6=CC=CC=C6

DOS

IR

Vibrations