Geometry & MOs

Info

ID:

47571

PubChem CID:

10534482

Reduced:

SO14N19C57H107 (1)

Stoich.:

AB14C19D57E107 (1)

Weight, g/mol:

1316.788329

ΔHf, kcal/mol:

-667.02

Dipole, Da:

8.47

IP(EA), eV:

 -9.05(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) (3R)-3-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-phenylmethoxypentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]oxytetradecanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C

DOS

IR

Vibrations