Geometry & MOs

Info

ID:

181620

PubChem CID:

76766987

Reduced:

N11O25C89H159 (1)

Stoich.:

A11B25C89D159 (1)

Weight, g/mol:

1429.941142

ΔHf, kcal/mol:

-1191.89

Dipole, Da:

20.74

IP(EA), eV:

 -8.33(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[[1-[[1-[4-[3-[2-[[6-(carbamoylamino)-2-oxohexan-3-yl]amino]-2-oxoethyl]-4-oxoquinazolin-6-yl]piperazin-1-yl]-6-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]hexadecanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NCCCCCC(=O)NC(C(C)CC)C(=O)NC(CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C(=O)N1CCN(CC1)C2=CC3=C(C=C2)N=CN(C3=O)CC(=O)NC(CCCNC(=O)N)C(=O)C

DOS

IR

Vibrations