Geometry & MOs

Info

ID:

16773

PubChem CID:

476651

Reduced:

O10N12C43H72 (1)

Stoich.:

A10B12C43D72 (1)

Weight, g/mol:

916.549437

ΔHf, kcal/mol:

-475.07

Dipole, Da:

9.9

IP(EA), eV:

 -8.97(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)N

DOS

IR

Vibrations