Geometry & MOs

Info

ID:

223014

PubChem CID:

85333886

Reduced:

FO3N8C20H26 (2)

Stoich.:

AB3C8D20E26 (2)

Weight, g/mol:

893.569838

ΔHf, kcal/mol:

-202.81

Dipole, Da:

16.24

IP(EA), eV:

 -9.31(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[1-[2-[[1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCN(CC3)C(=NC(=NCCCCCCN=C(N)N=C(N)N4CCN(CC4)C5=C(C=C6C(=O)C(=CN(C6=N5)CC)C(=O)O)F)N)N)F)C(=O)O

DOS

IR

Vibrations