Geometry & MOs

Info

ID:

215763

PubChem CID:

85085217

Reduced:

O25C78H140 (1)

Stoich.:

A25B78C140 (1)

Weight, g/mol:

1483.99664

ΔHf, kcal/mol:

-1333.93

Dipole, Da:

9.32

IP(EA), eV:

 -9.94(0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[[2-[[2-[[2-[[2-[2-[[6-amino-2-[(2-amino-3-phenylpropanoyl)amino]hexanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[1-[[1-[[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]hexanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC1C(OC(C(C1O)O)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC)OC4C(OC5C(C4OC(=O)CCCCCCCCCC(OC6C(O5)C(C(C(O6)C)O)O)CCCCC)O)C)C)C

DOS

IR

Vibrations