Geometry & MOs

Info

ID:	403279
PubChem CID:	135059540
Reduced:	NO5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	272.050715
ΔH_f, kcal/mol:	-148.01
Dipole, Da:	1.65
IP(EA), eV:	-9.04(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-methoxy-5-oxodibenzothiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)ON1C(=CC2=CC=CC=C2C1=O)C(=O)OC

DOS

IR

Vibrations