Geometry & MOs

Info

ID:

47360

PubChem CID:

10531854

Reduced:

NiSN6H32C34 (1)

Stoich.:

ABC6D32E34 (1)

Weight, g/mol:

615.324369

ΔHf, kcal/mol:

422.32

Dipole, Da:

7.4

IP(EA), eV:

 -8.37(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-2-(1-adamantyl)acetyl]amino]-N',N'-dimethyl-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C6=C(C=CC7=NSN=C76)C(=CC1=N2)[N-]5)CC)C)CC)CC)C.[Ni+2]

DOS

IR

Vibrations