Geometry & MOs

Info

ID:

223037

PubChem CID:

85334125

Reduced:

SN11O15C41H73 (1)

Stoich.:

AB11C15D41E73 (1)

Weight, g/mol:

878.469061

ΔHf, kcal/mol:

-749.97

Dipole, Da:

10.54

IP(EA), eV:

 -8.86(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[3-[(9,10-dioxoanthracen-1-yl)amino]propyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations