Geometry & MOs

Info

ID:

223876

PubChem CID:

85335690

Reduced:

OC4H6 (9)

Stoich.:

AB4C6 (9)

Weight, g/mol:

630.472021

ΔHf, kcal/mol:

-439.79

Dipole, Da:

5.27

IP(EA), eV:

 -9.07(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-benzyl-N-[1-[(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-N'-[2-(dimethylamino)ethyl]-N'-methylbutanediamide

Drug info:

PubChemData

Smile

CC1C2CCC3(C(C2(CCC1OC4C=CC(C(O4)O)O)C)C(CC5C3(CC(C5=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C

DOS

IR

Vibrations