Geometry & MOs

Info

ID:	303039
PubChem CID:	124489134
Reduced:	SO3N5H13C14 (1)
Stoich.:	AB3C5D13E14 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	30.86
Dipole, Da:	6.04
IP(EA), eV:	-9.28(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)[C@H](C2=CC=CC=C2OC)NC(=O)C3=CN=NS3

DOS

IR

Vibrations