Geometry & MOs

Info

ID:	301992
PubChem CID:	123108217
Reduced:	SN2O6C20H20 (1)
Stoich.:	AB2C6D20E20 (1)
Weight, g/mol:	317.072179
ΔH_f, kcal/mol:	-109.2
Dipole, Da:	7.39
IP(EA), eV:	-8.88(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-nitrophenyl)methylsulfinyl]-1-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C(C)S(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations