Geometry & MOs

Info

ID:

167445

PubChem CID:

74829228

Reduced:

P2O17C36H68 (1)

Stoich.:

A2B17C36D68 (1)

Weight, g/mol:

758.368636

ΔHf, kcal/mol:

-1013.01

Dipole, Da:

8.05

IP(EA), eV:

 -10.6(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[1-(1H-indol-3-yl)-3-oxopropan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)OC(COC(=O)CCCC)COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CCCCCC)OC(=O)CCCCC)O

DOS

IR

Vibrations