Geometry & MOs

Info

ID:	45586
PubChem CID:	10515241
Reduced:	O2C7H12 (2)
Stoich.:	A2B7C12 (2)
Weight, g/mol:	256.092186
ΔH_f, kcal/mol:	-207.68
Dipole, Da:	2.58
IP(EA), eV:	-9.71(1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-1,3-diphenylpropan-1-one

Drug info:

PubChemData

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C[C@@H]1[C@H](OC(O1)CC2CC3(C2)O[C@@H]([C@H](O3)C)C)C

DOS

IR

Vibrations