Geometry & MOs

Info

ID:

449704

PubChem CID:

135300786

Reduced:

NO2C11H14 (2)

Stoich.:

AB2C11D14 (2)

Weight, g/mol:

660.268295

ΔHf, kcal/mol:

-87.64

Dipole, Da:

1.7

IP(EA), eV:

 -8.87(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-O-[2-(2-methylpropanoyloxy)ethyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-[[4-(4-aminophenoxy)phenyl]carbamoyl]-6-propan-2-ylbenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1(CC(C(N1O)(C)C)NOC2=CC(=CC(=C2)O)/C=C/C3=CC=C(C=C3)O)C

DOS

IR

Vibrations