Geometry & MOs

Info

ID:

315210

PubChem CID:

126625034

Reduced:

N2O5C12H21 (2)

Stoich.:

A2B5C12D21 (2)

Weight, g/mol:

1280.633761

ΔHf, kcal/mol:

-481.78

Dipole, Da:

10.01

IP(EA), eV:

 -9.88(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[[(2S)-5-(carbamoylamino)-2-[6-[3-(cyclododecahexaenylsulfanyl)-2,5-dioxopyrrolidin-1-yl]hexanoylamino]pentanoyl]amino]phenyl]-2-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(=C)CCOC(C)(CCOCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)N

DOS

IR

Vibrations