Geometry & MOs

Info

ID:	325517
PubChem CID:	126683734
Reduced:	NSF3O5C30H32 (1)
Stoich.:	ABC3D5E30F32 (1)
Weight, g/mol:	493.261694
ΔH_f, kcal/mol:	-316.74
Dipole, Da:	2.92
IP(EA), eV:	-8.82(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-5-[(2R,4R)-2-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]propyl]-3,4-dihydro-2H-chromen-4-yl]benzoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC2=CC=CC=C21)N(CCC3CC4=CC=CC=C4C(=C3)OS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C

DOS

IR

Vibrations