Geometry & MOs

Info

ID:	347250
PubChem CID:	127271791
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	363.118753
ΔH_f, kcal/mol:	-108.41
Dipole, Da:	7.93
IP(EA), eV:	-9.03(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclopropylpiperazin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)N3CCN(CC3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations