Geometry & MOs

Info

ID:

15586

PubChem CID:

444996

Reduced:

SO9N11C43H71 (1)

Stoich.:

AB9C11D43E71 (1)

Weight, g/mol:

917.515694

ΔHf, kcal/mol:

-397.37

Dipole, Da:

12.04

IP(EA), eV:

 -8.81(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-cyclohexylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-methylamino]-2-phenylacetyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N)C(C)(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C1=CC=CC=C1)N(C)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC2CCCCC2)NC(=O)C

DOS

IR

Vibrations