Geometry & MOs

Info

ID:	156864
PubChem CID:	56394776
Reduced:	SN3O5C20H29 (1)
Stoich.:	AB3C5D20E29 (1)
Weight, g/mol:	420.161997
ΔH_f, kcal/mol:	-195.2
Dipole, Da:	7.04
IP(EA), eV:	-9.17(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1-(4-propanoylpiperazin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations