Geometry & MOs

Info

ID:

425007

PubChem CID:

135124821

Reduced:

FNSO6C32H34 (1)

Stoich.:

ABCD6E32F34 (1)

Weight, g/mol:

543.242101

ΔHf, kcal/mol:

-213.12

Dipole, Da:

2.46

IP(EA), eV:

 -8.7(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[4-[[(1R)-7-fluoro-4-[4-methyl-6-[(3-methyloxetan-3-yl)methoxy]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoate

Drug info:

PubChemData

Smile

CC#CC(CC(=O)OC)C1=CC=C(C=C1)O[C@@H]2CCC3=C(C=CC(=C23)F)C4=CN=C(C=C4)OC5CCS(CC5)(O)O

DOS

IR

Vibrations