Geometry & MOs

Info

ID:	325537
PubChem CID:	126683838
Reduced:	FNO3H30C31 (1)
Stoich.:	ABC3D30E31 (1)
Weight, g/mol:	479.246044
ΔH_f, kcal/mol:	-106.18
Dipole, Da:	5.25
IP(EA), eV:	-8.85(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1F)[C@@H]2C[C@@H](OC3=CC=CC=C23)CN[C@H](C)C4=CC=CC5=CC=CC=C54)C)C(=O)O

DOS

IR

Vibrations