Geometry & MOs

Info

ID:	447389
PubChem CID:	135282544
Reduced:	BrCl2N2O3H21C25 (1)
Stoich.:	AB2C2D3E21F25 (1)
Weight, g/mol:	549.183062
ΔH_f, kcal/mol:	-67.42
Dipole, Da:	3.66
IP(EA), eV:	-9.67(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[[1-(1-hydroxyethyl)cyclopropyl]methoxy]-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile

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

C1C[C@@H](C[C@H]1O)OC2(C3=C(C=C(C=C3)Br)C(=O)N2CC4=NC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

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

C1C[C@@H](C[C@H]1O)OC2(C3=C(C=C(C=C3)Br)C(=O)N2CC4=NC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):