Geometry & MOs

Info

ID:	60294
PubChem CID:	26676116
Reduced:	ClOSN5C21H22 (1)
Stoich.:	ABCD5E21F22 (1)
Weight, g/mol:	470.073692
ΔH_f, kcal/mol:	54.99
Dipole, Da:	7.34
IP(EA), eV:	-9.11(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NNC(=S)NCCC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations