Geometry & MOs

Info

ID:	182924
PubChem CID:	76955839
Reduced:	INO3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	584.325023
ΔH_f, kcal/mol:	-109.37
Dipole, Da:	6.75
IP(EA), eV:	-8.39(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R)-3-[[(2R)-2-(4-hydroxyphenyl)-2-[(1S)-1-(4-hydroxyphenyl)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethoxy]ethyl]amino]butyl]phenol

Drug info:

PubChemData

Smile

C[C@H]1C2=C(C(=C(C=C2CCN1C)OC)OC)O.I

DOS

IR

Vibrations