Geometry & MOs

Info

ID:

167481

PubChem CID:

74834196

Reduced:

SN4O6C33H42 (1)

Stoich.:

AB4C6D33E42 (1)

Weight, g/mol:

981.549496

ΔHf, kcal/mol:

-137.95

Dipole, Da:

7.02

IP(EA), eV:

 -9.23(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[6-amino-2-[[5-amino-2-[2-[[2-[[1-[2-(2-aminopropanoylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-cyclohexylpropanoyl]amino]propanoylamino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CN1CCCCC=CC2CC2(NC(=O)C3CC(C=C3C1=O)ON=C(C4CCCC4)C5=CC=CC=C5)C(=O)NS(=O)(=O)C6CC6

DOS

IR

Vibrations