Geometry & MOs

Info

ID:

223118

PubChem CID:

85334531

Reduced:

O10N18C57H84 (1)

Stoich.:

A10B18C57D84 (1)

Weight, g/mol:

1180.717958

ΔHf, kcal/mol:

-337.7

Dipole, Da:

8.26

IP(EA), eV:

 -7.79(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-amino-2-[[2-[[2-[[6-amino-2-[[5-amino-2-[[2-[[6-amino-2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C3CCCN3C(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CN=CN5)NC(=O)C(CCCN=C(N)N)NC(=O)C(C(C)C)NC(=O)C(C)N

DOS

IR

Vibrations