Geometry & MOs

Info

ID:	325522
PubChem CID:	126683765
Reduced:	O6C7H13 (2)
Stoich.:	A6B7C13 (2)
Weight, g/mol:	487.1959
ΔH_f, kcal/mol:	-565.05
Dipole, Da:	0.68
IP(EA), eV:	-11.14(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-3-methyl-4-[(2R,4S)-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-4-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)OC(=O)OC(C)C.COC(=O)OC.C(COC(=O)O)OC(=O)O

DOS

IR

Vibrations