Geometry & MOs

Info

ID:	383483
PubChem CID:	134975226
Reduced:	NO2S2H21C30 (1)
Stoich.:	AB2C2D21E30 (1)
Weight, g/mol:	202.102751
ΔH_f, kcal/mol:	77.7
Dipole, Da:	5.25
IP(EA), eV:	-8.6(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methyl-9-sulfanyloxecan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C2SC(=C(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4)S2)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations