Geometry & MOs

Info

ID:

215752

PubChem CID:

85085199

Reduced:

O32C65H106 (1)

Stoich.:

A32B65C106 (1)

Weight, g/mol:

1399.731577

ΔHf, kcal/mol:

-1503.47

Dipole, Da:

8.43

IP(EA), eV:

 -9.54(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[5-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)CO)OC9C(C(C(CO9)OC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)C)(C)C)O)O)O)CO)O)O)O

DOS

IR

Vibrations