Geometry & MOs

Info

ID:

223215

PubChem CID:

85334697

Reduced:

N17O23C52H89 (1)

Stoich.:

A17B23C52D89 (1)

Weight, g/mol:

1319.708516

ΔHf, kcal/mol:

-1139.49

Dipole, Da:

7.46

IP(EA), eV:

 -9.8(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[6-amino-2-[[2-[[4-amino-2-[[2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]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]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)N)N

DOS

IR

Vibrations