Geometry & MOs

Info

ID:	159600
PubChem CID:	57288517
Reduced:	O3C23H40 (1)
Stoich.:	A3B23C40 (1)
Weight, g/mol:	358.12388
ΔH_f, kcal/mol:	-181.83
Dipole, Da:	3.15
IP(EA), eV:	-9.62(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfinylphenyl)methanone

Drug info:

PubChemData

Smile

CCCC(CCC)(COCC=CC(C)[C@H]1CC[C@H]2[C@]1(CCCC2=O)C)O

DOS

IR

Vibrations