Geometry & MOs

Info

ID:	218024
PubChem CID:	85088761
Reduced:	ClON5C23H24 (1)
Stoich.:	ABC5D23E24 (1)
Weight, g/mol:	421.068547
ΔH_f, kcal/mol:	56.2
Dipole, Da:	4.87
IP(EA), eV:	-8.96(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-1,3-thiazol-2-yl)-3-cyclopentyl-2-(6-cyclopropylsulfinylpyridin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1CCCC1CCNC2=C(C(=O)NC3=C2C=C(C=C3)Cl)C4=NC5C=CC=CC5=N4

DOS

IR

Vibrations