Geometry & MOs

Info

ID:

168139

PubChem CID:

74928654

Reduced:

SO4N6C8H12 (1)

Stoich.:

AB4C6D8E12 (1)

Weight, g/mol:

1122.520656

ΔHf, kcal/mol:

-88.08

Dipole, Da:

6.1

IP(EA), eV:

 -9.25(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)CCN1C(=O)N2C=NC(=C2NN1)C(=O)N

DOS

IR

Vibrations