Geometry & MOs

Info

ID:	84692
PubChem CID:	49869323
Reduced:	ClFON3C22H23 (1)
Stoich.:	ABCD3E22F23 (1)
Weight, g/mol:	551.129824
ΔH_f, kcal/mol:	-44.02
Dipole, Da:	2.19
IP(EA), eV:	-8.2(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-amino-2-[2-[2-chloro-4-(2-hydroxy-5-phenylmethoxyphenyl)sulfanylphenyl]ethyl]pentyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N3C=CC=C3C4(N2)CCN(CC4)C5=CC=C(C=C5)F.Cl

DOS

IR

Vibrations