Geometry & MOs

Info

ID:

447255

PubChem CID:

135281504

Reduced:

BrNCl2O4H16C23 (1)

Stoich.:

ABC2D4E16F23 (1)

Weight, g/mol:

582.168828

ΔHf, kcal/mol:

-108.81

Dipole, Da:

1.83

IP(EA), eV:

 -9.66(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxoisoindol-5-yl]-2-hydroxy-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CC(=O)O)N2C(=O)C3=C(C2(C4=CC=C(C=C4)Cl)O)C=CC(=C3)Br)Cl

DOS

IR

Vibrations