Geometry & MOs

Info

ID:

189078

PubChem CID:

77813125

Reduced:

N2O5C20H30 (1)

Stoich.:

A2B5C20D30 (1)

Weight, g/mol:

641.440387

ΔHf, kcal/mol:

-213.52

Dipole, Da:

1.8

IP(EA), eV:

 -9.21(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(ethylamino)-4-hydroxy-6-[[3-(3-methoxypropoxy)-4-methylphenyl]methoxy]-N-[3-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]-2-propan-2-ylhexanamide

Drug info:

PubChemData

Smile

CCOC(=O)C12CC1C=CCCCCN(C(=O)C3CC(CC3C(=O)N2)O)C

DOS

IR

Vibrations