Geometry & MOs

Info

ID:	301995
PubChem CID:	123108220
Reduced:	NSO4H15C16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	363.077658
ΔH_f, kcal/mol:	-32.19
Dipole, Da:	7.4
IP(EA), eV:	-9.24(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethoxyphenyl)-2-[(4-nitrophenyl)methylsulfinyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)CS(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations