Geometry & MOs

Info

ID:

437104

PubChem CID:

135214878

Reduced:

NOC33H45 (1)

Stoich.:

ABC33D45 (1)

Weight, g/mol:

989.725276

ΔHf, kcal/mol:

-42.41

Dipole, Da:

4.3

IP(EA), eV:

 -8.7(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-hexanoyl-N-[1-[[2-[[2-methyl-1-[[2-[[4-methyl-1-[[2-methyl-1-[[2-methyl-1-oxo-1-(propylamino)propan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]-propan-2-ylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-propan-2-ylamino]-2-oxoethyl]amino]-1-oxodecan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)N(C)C(=O)C=C

DOS

IR

Vibrations