Geometry & MOs

Info

ID:	401206
PubChem CID:	135050563
Reduced:	NSO4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	254.094294
ΔH_f, kcal/mol:	-102.84
Dipole, Da:	6.98
IP(EA), eV:	-9.57(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3S)-3-(3-phenoxyphenyl)oxiran-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@H]2COCC3=CC=CC=C3)CCO

DOS

IR

Vibrations