Geometry & MOs

Info

ID:	425076
PubChem CID:	135125066
Reduced:	SO2F3N5H14C20 (1)
Stoich.:	AB2C3D5E14F20 (1)
Weight, g/mol:	529.226451
ΔH_f, kcal/mol:	-105.36
Dipole, Da:	6.69
IP(EA), eV:	-8.86(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-[4-[[(1R)-7-fluoro-4-[5-[(3-methyloxetan-3-yl)methoxy]pyridin-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=NC=CC(=C2)C(F)(F)F)C#CC3=CN=C(S3)NC(=O)N

DOS

IR

Vibrations