Geometry & MOs

Info

ID:

34432

PubChem CID:

7977315

Reduced:

BrO2N3H32C35 (1)

Stoich.:

AB2C3D32E35 (1)

Weight, g/mol:

409.188923

ΔHf, kcal/mol:

28.85

Dipole, Da:

6.56

IP(EA), eV:

 -8.5(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(2,5-dimethylanilino)-2-oxoethyl] (E)-3-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1[C@@H](N(NC1=C2C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)C(=O)C56CC7CC(C5)CC(C7)C6)C8=CC=CC=C8

DOS

IR

Vibrations