Geometry & MOs

Info

ID:	154987
PubChem CID:	56314547
Reduced:	OS2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	430.157581
ΔH_f, kcal/mol:	65.98
Dipole, Da:	7.39
IP(EA), eV:	-8.38(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN2CCSCC2)NC(=O)C3=CSC(=N3)C4=NC=CC=N4

DOS

IR

Vibrations