Geometry & MOs

Info

ID:	355755
PubChem CID:	127290607
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	393.118084
ΔH_f, kcal/mol:	-135.14
Dipole, Da:	5.95
IP(EA), eV:	-8.87(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(C)C(=O)NC4CC4

DOS

IR

Vibrations