Geometry & MOs

Info

ID:

336610

PubChem CID:

127255617

Reduced:

O6N8C27H38 (1)

Stoich.:

A6B8C27D38 (1)

Weight, g/mol:

963.550348

ΔHf, kcal/mol:

-201.57

Dipole, Da:

2.32

IP(EA), eV:

 -8.02(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(2,5-dioxopyrrol-1-yl)-N-[(2S)-1-[[(2S)-2-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methylbutanoyl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylhexanamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5.C(CC(=O)O)C(=O)O.O

DOS

IR

Vibrations