Geometry & MOs

Info

ID:	148251
PubChem CID:	53787913
Reduced:	NOC21H21 (1)
Stoich.:	ABC21D21 (1)
Weight, g/mol:	290.088912
ΔH_f, kcal/mol:	48.19
Dipole, Da:	2.18
IP(EA), eV:	-8.77(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-6-fluoro-2-(imidazol-1-ylmethyl)-2-prop-2-enyl-3H-1-benzothiophen-3-ol

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)(C3=CC=C(C=C3)C#CC4=CC=CC=C4)O

DOS

IR

Vibrations