Geometry & MOs

Info

ID:

223078

PubChem CID:

85334485

Reduced:

N12O18C51H82 (1)

Stoich.:

A12B18C51D82 (1)

Weight, g/mol:

1151.491038

ΔHf, kcal/mol:

-858.42

Dipole, Da:

4.28

IP(EA), eV:

 -9.1(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-[[1-(2-acetamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-[[1-[[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(C(C)O)N

DOS

IR

Vibrations