Geometry & MOs

Info

ID:

223007

PubChem CID:

85333844

Reduced:

N7O7C41H57 (1)

Stoich.:

A7B7C41D57 (1)

Weight, g/mol:

885.491981

ΔHf, kcal/mol:

-302.31

Dipole, Da:

5.63

IP(EA), eV:

 -8.56(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[6-amino-2-[[4-amino-2-[2-[[6-amino-2-[[1-(2-amino-3-hydroxypropanoyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NCCCNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)N

DOS

IR

Vibrations