Geometry & MOs

Info

ID:	447407
PubChem CID:	135282640
Reduced:	Cl2F2O3N4C29H30 (1)
Stoich.:	A2B2C3D4E29F30 (1)
Weight, g/mol:	615.174783
ΔH_f, kcal/mol:	-158.49
Dipole, Da:	4.29
IP(EA), eV:	-8.8(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[(2S)-3-fluoro-2-hydroxypropoxy]-5-[1-(4-fluorooxan-4-yl)-1-hydroxyethyl]-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

CCC(C1=CC2=C(C(=C1)F)[C@@](N(C2=O)CC3=NC=C(C=N3)Cl)(C4=CC=C(C=C4)Cl)OC)(C5(CCN(CC5)C)F)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

CCC(C1=CC2=C(C(=C1)F)[C@@](N(C2=O)CC3=NC=C(C=N3)Cl)(C4=CC=C(C=C4)Cl)OC)(C5(CCN(CC5)C)F)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):