Geometry & MOs

Info

ID:

224159

PubChem CID:

85338944

Reduced:

N6O10C37H42 (1)

Stoich.:

A6B10C37D42 (1)

Weight, g/mol:

833.333767

ΔHf, kcal/mol:

-226.79

Dipole, Da:

13.99

IP(EA), eV:

 -6.1(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-[[2-[2-[[2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(=CC1=NC2=C(O1)C=CC=[N+]2CCCCCC(=O)ON3C(=O)CCC3=O)C=C4NC5=C(O4)C=CC=[N+]5CCCCCC(=O)ON6C(=O)CCC6=O

DOS

IR

Vibrations