Geometry & MOs

Info

ID:	182393
PubChem CID:	76884240
Reduced:	FO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	375.060839
ΔH_f, kcal/mol:	-69.39
Dipole, Da:	7.93
IP(EA), eV:	-8.3(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)NC2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations