Geometry & MOs

Info

ID:	355770
PubChem CID:	127290622
Reduced:	SN2O4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	392.086449
ΔH_f, kcal/mol:	-124.66
Dipole, Da:	7.09
IP(EA), eV:	-9.44(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazin-1-yl]-thiophen-3-ylmethanone

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCNC(=O)CC3C4=CC=CC=C4

DOS

IR

Vibrations