Geometry & MOs

Info

ID:	184570
PubChem CID:	77176861
Reduced:	ClO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	432.215114
ΔH_f, kcal/mol:	-70.35
Dipole, Da:	3.51
IP(EA), eV:	-8.44(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

hydroxy-[4-hydroxy-4-methoxy-3-(phenylmethoxycarbonylamino)butyl]-[(2-methylpropan-2-yl)oxy]-propan-2-yloxyphosphanium

Drug info:

PubChemData

Smile

C1CC2C(CC1Cl)C(=O)C(CN2)C(=O)NC3=CC4=C(C=C3)C=CN4

DOS

IR

Vibrations