Geometry & MOs

Info

ID:	233198
PubChem CID:	87793215
Reduced:	OF3H9C14 (1)
Stoich.:	AB3C9D14 (1)
Weight, g/mol:	486.202024
ΔH_f, kcal/mol:	-116.65
Dipole, Da:	4.88
IP(EA), eV:	-9.87(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)but-3-enyl]-1-(4-fluorophenyl)thiourea;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C=O)C2=CC(=C(C(=C2)F)F)F

DOS

IR

Vibrations