Geometry & MOs

Info

ID:

9110

PubChem CID:

86189

Reduced:

N6O9C38H58 (1)

Stoich.:

A6B9C38D58 (1)

Weight, g/mol:

742.426527

ΔHf, kcal/mol:

-391.44

Dipole, Da:

9.69

IP(EA), eV:

 -9.02(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-benzyl-N-[1-[[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-(2-methoxyethoxymethoxy)ethyl]-N'-methylbutanediamide

Drug info:

PubChemData

Smile

CCN1CC(OC1=O)C(C(CC2CCCCC2)NC(=O)C(CC3=CN=CN3)NC(=O)C(CC4=CC=CC=C4)CC(=O)N(C)CCOCOCCOC)O

DOS

IR

Vibrations