Geometry & MOs

Info

ID:	148185
PubChem CID:	53787847
Reduced:	S2N4O7C17H18 (1)
Stoich.:	A2B4C7D17E18 (1)
Weight, g/mol:	493.222939
ΔH_f, kcal/mol:	-225.33
Dipole, Da:	3.87
IP(EA), eV:	-9.27(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-[(1S)-3-[[2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenoxy]propyl]amino]-1-phenoxypropyl]phosphinic acid

Drug info:

PubChemData

Smile

COC(C1=C(N2[C@H]([C@@H](C2=O)NC(=O)CSC3=CC=CC=N3)SC1)C(=O)O)OC(=O)N

DOS

IR

Vibrations