Geometry & MOs

Info

ID:	313590
PubChem CID:	126616088
Reduced:	ClF3N4O4C23H24 (1)
Stoich.:	AB3C4D4E23F24 (1)
Weight, g/mol:	475.13582
ΔH_f, kcal/mol:	-271.14
Dipole, Da:	5.75
IP(EA), eV:	-8.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[5-bromo-4-(3,4-dihydro-2H-chromen-6-yl)-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=C(N2C=C(C=C(C2=N1)OCC3=C(C=CC=C3F)F)Cl)C(=O)NCC(C)(CCCF)NC(=O)O

DOS

IR

Vibrations