Geometry & MOs

Info

ID:	85413
PubChem CID:	49874915
Reduced:	SN3O5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	348.106516
ΔH_f, kcal/mol:	-163.32
Dipole, Da:	6.14
IP(EA), eV:	-8.42(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-hydroxybutoxy)-3-methoxy-4-propylthiophen-2-yl]-2-methylsulfinylethanone

Drug info:

PubChemData

Smile

CC(=O)N(CC(=O)NCCC1=CC(=C(C=C1)OC)OC)C2=CC=C(S2)C(=O)NC

DOS

IR

Vibrations