Geometry & MOs

Info

ID:

223006

PubChem CID:

85333841

Reduced:

O11N12C39H60 (1)

Stoich.:

A11B12C39D60 (1)

Weight, g/mol:

759.431947

ΔHf, kcal/mol:

-473.48

Dipole, Da:

9.6

IP(EA), eV:

 -9.24(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)NC(C)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations