Geometry & MOs

Info

ID:	301993
PubChem CID:	123108218
Reduced:	NSO4H15C16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	303.056529
ΔH_f, kcal/mol:	-21.78
Dipole, Da:	9.34
IP(EA), eV:	-9.17(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-nitrophenyl)methylsulfinyl]-1-phenylethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations