Geometry & MOs

Info

ID:	71347
PubChem CID:	48414664
Reduced:	FO2N4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	13.47
Dipole, Da:	5.29
IP(EA), eV:	-9.05(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)F

DOS

IR

Vibrations