Geometry & MOs

Info

ID:	425066
PubChem CID:	135125017
Reduced:	NO2F3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	541.246438
ΔH_f, kcal/mol:	-205.04
Dipole, Da:	5.08
IP(EA), eV:	-10.25(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(=O)CC2CC2)NC(=O)C(F)(F)F

DOS

IR

Vibrations