Geometry & MOs

Info

ID:	447415
PubChem CID:	135282732
Reduced:	Cl2O4N5H25C28 (1)
Stoich.:	A2B4C5D25E28 (1)
Weight, g/mol:	564.99709
ΔH_f, kcal/mol:	-59.81
Dipole, Da:	3.86
IP(EA), eV:	-8.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[5-bromo-1-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-7-fluoro-3-oxoisoindol-1-yl]oxy-2-methylpropanamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C1=CC2=C(C=C1)[C@@](N(C2=O)CC3=NC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)OC)(C(=O)NC5=CN(N=C5)C)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C1=CC2=C(C=C1)[C@@](N(C2=O)CC3=NC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)OC)(C(=O)NC5=CN(N=C5)C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):