Geometry & MOs

Info

ID:	444858
PubChem CID:	135263761
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	760.284318
ΔH_f, kcal/mol:	-92.56
Dipole, Da:	1.26
IP(EA), eV:	-9.38(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-[[1-[5-[[2-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]pyridin-2-yl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

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(C)(C)[C@H](COC(=O)N)C1=CC=C(C=C1)Br

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(C)(C)[C@H](COC(=O)N)C1=CC=C(C=C1)Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):