Geometry & MOs

Info

ID:	176921
PubChem CID:	76114130
Reduced:	IN2O2C8H11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	422.138565
ΔH_f, kcal/mol:	-9.45
Dipole, Da:	7.38
IP(EA), eV:	-8.78(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dithian-2-yl)-2-fluoro-3,4-bis(phenylmethoxy)butan-1-ol

Drug info:

PubChemData

Smile

CC(=C1C(=O)C=CC=[NH+]1)NOC.[I-]

DOS

IR

Vibrations