Geometry & MOs

Info

ID:

437093

PubChem CID:

135214734

Reduced:

O11N12C49H84 (1)

Stoich.:

A11B12C49D84 (1)

Weight, g/mol:

1087.773289

ΔHf, kcal/mol:

-566.18

Dipole, Da:

9.57

IP(EA), eV:

 -8.59(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-cyclohexyl-1-[[2-[[1-[[2-[[1-[[1-[[1-[[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-propan-2-ylamino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]-propan-2-ylamino]-2-oxoethyl]amino]-1-oxobutan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCC(C(=O)NCC(=O)NC(C)(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NCCN(C)C)NC(=O)C1CCCN1C(=O)C2=COC(=N2)C

DOS

IR

Vibrations