Geometry & MOs

Info

ID:

449349

PubChem CID:

135297860

Reduced:

N2O11C36H38 (1)

Stoich.:

A2B11C36D38 (1)

Weight, g/mol:

682.289031

ΔHf, kcal/mol:

-383.26

Dipole, Da:

2.94

IP(EA), eV:

 -8.3(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl] 3-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-acetyl-6-[[3-methyl-4-[2-methyl-4-(methylamino)phenyl]phenyl]carbamoyl]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)C(=O)OCCOC(=O)C1=C(C=C(C(=C1)C(=O)OCCOC(=O)C(=C)C)C(=O)C)C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC

DOS

IR

Vibrations