Geometry & MOs

Info

ID:

426058

PubChem CID:

135135695

Reduced:

N8O13C60H104 (1)

Stoich.:

A8B13C60D104 (1)

Weight, g/mol:

1683.71971

ΔHf, kcal/mol:

-661.89

Dipole, Da:

3.22

IP(EA), eV:

 -8.74(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[(2R)-2-[[2-[[2-[2-[2-[2-[2-[[(4R)-4,5-bis(carbonobromidoylamino)pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[1-[[1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@@H]3C(=O)NCCCOCCOCCOCCCNC(=O)OC(C)(C)C)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C(C)C)N(C)C

DOS

IR

Vibrations