Geometry & MOs

Info

ID:

26317

PubChem CID:

644083

Reduced:

S4O25C28H42 (1)

Stoich.:

A4B25C28D42 (1)

Weight, g/mol:

1104.527198

ΔHf, kcal/mol:

-1162.04

Dipole, Da:

8.51

IP(EA), eV:

 -9.52(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[[(2S)-2-[[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-(diaminomethylideneamino)-2-oxohexanoyl]carbamoylamino]-3-hydroxybutanoyl]amino]acetyl]amino]butanediamide

Drug info:

PubChemData

Smile

C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=CC(=C5)S(=O)(=O)O)O)O)S(=O)(=O)O)S(=O)(=O)O.O.O.O.O.O.O.O.O.O

DOS

IR

Vibrations