Geometry & MOs

Info

ID:	425077
PubChem CID:	135125067
Reduced:	FNO5C32H32 (1)
Stoich.:	ABC5D32E32 (1)
Weight, g/mol:	515.210801
ΔH_f, kcal/mol:	-140.21
Dipole, Da:	3.5
IP(EA), eV:	-8.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[[(1R)-7-fluoro-4-[5-[(3R)-oxolan-3-yl]oxypyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoate

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@@H](CC(=O)OC)C1=CC=C(C=C1)O[C@@H]2CCC3=C(C=CC(=C23)F)C4=NC=C(C=C4)OCC5(COC5)C

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@@H](CC(=O)OC)C1=CC=C(C=C1)O[C@@H]2CCC3=C(C=CC(=C23)F)C4=NC=C(C=C4)OCC5(COC5)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):