Geometry & MOs

Info

ID:	325514
PubChem CID:	126683719
Reduced:	SO4N6C24H24 (1)
Stoich.:	AB4C6D24E24 (1)
Weight, g/mol:	511.252272
ΔH_f, kcal/mol:	5.7
Dipole, Da:	1.39
IP(EA), eV:	-8.25(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S,4S)-2-[3-[[(1R)-1-(4-fluoronaphthalen-1-yl)ethyl]amino]propyl]-3,4-dihydro-2H-chromen-4-yl]-2,3-dimethylbenzoic acid

Drug info:

PubChemData

Smile

CC1=NN2C=C(N=C2N=C1)C3=CC4=C(O3)C=C(C=C4OCC5=C(SC(=N5)N6CCOCC6)C)OC

DOS

IR

Vibrations