Geometry & MOs

Info

ID:

223044

PubChem CID:

85334217

Reduced:

O6N8C22H41 (2)

Stoich.:

A6B8C22D41 (2)

Weight, g/mol:

1030.48187

ΔHf, kcal/mol:

-591.49

Dipole, Da:

11.33

IP(EA), eV:

 -9.6(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[1-[5-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(C(C)O)N

DOS

IR

Vibrations