Geometry & MOs

Info

ID:

222996

PubChem CID:

85333709

Reduced:

O7N14C37H60 (1)

Stoich.:

A7B14C37D60 (1)

Weight, g/mol:

830.388244

ΔHf, kcal/mol:

-275.71

Dipole, Da:

12.7

IP(EA), eV:

 -8.7(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-amino-2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)N

DOS

IR

Vibrations