Geometry & MOs

Info

ID:

425020

PubChem CID:

135124877

Reduced:

SO5N6C32H40 (1)

Stoich.:

AB5C6D32E40 (1)

Weight, g/mol:

554.2217

ΔHf, kcal/mol:

-116.11

Dipole, Da:

10.15

IP(EA), eV:

 -9.12(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[4-[[(1R)-4-[5-cyano-6-(oxan-4-yloxy)pyridin-3-yl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoate

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=C(O1)N=CC=C2)CC3=C(C=CC(=C3)C(CC(=O)NCCCO)C4=C(C5=C(C=C4)N(N=N5)CC)C)C

DOS

IR

Vibrations