Geometry & MOs

Info

ID:

224183

PubChem CID:

85339293

Reduced:

S2N4O6C21H25 (2)

Stoich.:

A2B4C6D21E25 (2)

Weight, g/mol:

1193.567665

ΔHf, kcal/mol:

-379.95

Dipole, Da:

3.89

IP(EA), eV:

 -8.58(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[5-amino-1-[[5-amino-1-[[1-[[1-[[2-[[1-carboxy-4-(diaminomethylideneamino)butyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CN1C2CSSCC(C(=O)N(C(=C)C(=O)SCC(C(=O)NCC1=O)NC(=O)OCC3=CC=CC=C3)C)N(C(=O)CNC(=O)C(CSC(=O)C(=C)N(C2=O)C)NC(=O)OCC4=CC=CC=C4)C

DOS

IR

Vibrations