Geometry & MOs

Info

ID:	178866
PubChem CID:	76392930
Reduced:	FO2N4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	428.106037
ΔH_f, kcal/mol:	-21.07
Dipole, Da:	5.23
IP(EA), eV:	-8.73(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-4-[(4-propoxyphenyl)methyl]thiophen-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=NO)N2CCN=C2C)OCC3=CC(=CC=C3)F

DOS

IR

Vibrations