Geometry & MOs

Info

ID:

223299

PubChem CID:

85334825

Reduced:

N18O21C70H114 (1)

Stoich.:

A18B21C70D114 (1)

Weight, g/mol:

1554.90213

ΔHf, kcal/mol:

-895.56

Dipole, Da:

10.29

IP(EA), eV:

 -7.62(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[6-amino-2-[[2-[[2-[[2-[[2-[[1-[2-[[1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-5-[[1-[[1-[[1-[[1-(carboxymethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)N2CCCC2C(=O)NC(C)C(=O)O)NC(=O)C(CCCCN)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations