Geometry & MOs

Info

ID:

340103

PubChem CID:

127262112

Reduced:

ClN3O5C26H32 (1)

Stoich.:

AB3C5D26E32 (1)

Weight, g/mol:

463.214092

ΔHf, kcal/mol:

-187.14

Dipole, Da:

8.11

IP(EA), eV:

 -9.65(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-1,3-dihydroindene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N)N([C@@H](CC1=CC=CC=C1)C(=O)CCl)C(=O)CNC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations