Geometry & MOs

Info

ID:	156046
PubChem CID:	56368895
Reduced:	ClO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	439.131425
ΔH_f, kcal/mol:	-54.76
Dipole, Da:	13.41
IP(EA), eV:	-8.83(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-[4-(5-nitropyridin-2-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC(=C(C=C3)N4C=CN=C4)Cl

DOS

IR

Vibrations