Geometry & MOs

Info

ID:	71529
PubChem CID:	48415004
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	403.192963
ΔH_f, kcal/mol:	-71.41
Dipole, Da:	5.8
IP(EA), eV:	-8.71(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-but-3-ynylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations