Geometry & MOs

Info

ID:	396120
PubChem CID:	135027472
Reduced:	FN2O5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	452.219889
ΔH_f, kcal/mol:	-195.78
Dipole, Da:	4.08
IP(EA), eV:	-8.71(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1,4-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxybutan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1(C2=C(C(=CC=C2)F)N[C@]13C4=CC=CC=C4N(C3=O)C)C(=O)OCC

DOS

IR

Vibrations