Geometry & MOs

Info

ID:

440202

PubChem CID:

135230112

Reduced:

NO2H17C19 (1)

Stoich.:

AB2C17D19 (1)

Weight, g/mol:

1138.593712

ΔHf, kcal/mol:

80.8

Dipole, Da:

4.58

IP(EA), eV:

-8.91(-0.38)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[2-[5-(4-acetyl-2-methoxy-5-methylphenoxy)pentoxy]-5-(2-ethenyl-4-methyl-2,3-dihydropyrrole-1-carbonyl)-4-methylphenoxy]propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

Drug info:

PubChemData

Smile

C=C1C[C@H]2/C=C/C=C/C3=C(C=C(C=C3)OCC#C)C(=O)N2C1

DOS

IR

Vibrations