Geometry & MOs

Info

ID:

223170

PubChem CID:

85334633

Reduced:

SN13O21C53H81 (1)

Stoich.:

AB13C21D53E81 (1)

Weight, g/mol:

1267.76122

ΔHf, kcal/mol:

-986.39

Dipole, Da:

5.48

IP(EA), eV:

 -8.81(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[6-amino-2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]hexanoyl]amino]-5-[[1-[[4-amino-1-[[1-[(1-carboxy-2-methylpropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CO)N

DOS

IR

Vibrations