Geometry & MOs

Info

ID:

59420

PubChem CID:

24858628

Reduced:

SO9N11C41H47 (1)

Stoich.:

AB9C11D41E47 (1)

Weight, g/mol:

1053.53424

ΔHf, kcal/mol:

-223.74

Dipole, Da:

7.78

IP(EA), eV:

 -9.14(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C1[C@H](CN2[C@@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)N)CC4=CNC5=CC=CC=C54)CCCN=C(N)N)CC6=CC=CC=C6)O

DOS

IR

Vibrations