Geometry & MOs

Info

ID:

223235

PubChem CID:

85334725

Reduced:

N17O23C54H89 (1)

Stoich.:

A17B23C54D89 (1)

Weight, g/mol:

1351.832654

ΔHf, kcal/mol:

-1138.62

Dipole, Da:

6.46

IP(EA), eV:

 -9.65(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[1-[3-[5-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]-[5-[(dodecylcarbamoylamino)methyl]-4-hydroxy-3-methoxyoxolan-2-yl]oxymethyl]-3-dodecyl-2,4-dioxoimidazolidin-1-yl]propylamino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations