Geometry & MOs

Info

ID:	355778
PubChem CID:	127290630
Reduced:	N2S2O4C17H22 (1)
Stoich.:	A2B2C4D17E22 (1)
Weight, g/mol:	372.114378
ΔH_f, kcal/mol:	-119.07
Dipole, Da:	6.56
IP(EA), eV:	-8.93(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-3-phenylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)N3CSCC3C(=O)N(C)C4CC4

DOS

IR

Vibrations