Geometry & MOs

Info

ID:	71268
PubChem CID:	48414547
Reduced:	OS2N4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	415.192963
ΔH_f, kcal/mol:	104.36
Dipole, Da:	4.68
IP(EA), eV:	-8.82(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC3=C(S2)N=C4N3C=CS4

DOS

IR

Vibrations