Geometry & MOs

Info

ID:

223128

PubChem CID:

85334548

Reduced:

O10N15C61H91 (1)

Stoich.:

A10B15C61D91 (1)

Weight, g/mol:

1197.80336

ΔHf, kcal/mol:

-442.11

Dipole, Da:

10.05

IP(EA), eV:

 -8.75(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]acetyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CN=CN4)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)N

DOS

IR

Vibrations