Geometry & MOs

Info

ID:	185708
PubChem CID:	77336003
Reduced:	PSN2O8C33H39 (1)
Stoich.:	ABC2D8E33F39 (1)
Weight, g/mol:	463.212375
ΔH_f, kcal/mol:	-288.55
Dipole, Da:	3.65
IP(EA), eV:	-8.6(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]ethyl]cyclohexyl]-(phenoxymethyl)phosphinic acid

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)P(=O)(COC2=CC=CC=C2)O)NCC(COC3=CC(=C(C=C3)OCC4=CC=CC=C4)NS(=O)(=O)C)O

DOS

IR

Vibrations