Geometry & MOs

Info

ID:

57270

PubChem CID:

22395565

Reduced:

NO4C27H35 (1)

Stoich.:

AB4C27D35 (1)

Weight, g/mol:

1636.842049

ΔHf, kcal/mol:

-99.93

Dipole, Da:

2.81

IP(EA), eV:

-8.18(-0.4)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[4-amino-2-[2-[[2-[[2-[[2-[[2-[[2-[2-[[4-amino-2-[(2-amino-3-hydroxybutanoyl)amino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC12CC(C3=C4CCOC=C4CCC3C1CCC2(COC)OC)C5=CC=C(C=C5)/C=N/O

DOS

IR

Vibrations