Geometry & MOs

Info

ID:	124245
PubChem CID:	50876101
Reduced:	N2O2S3H16C17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	268.109944
ΔH_f, kcal/mol:	-1.58
Dipole, Da:	6.64
IP(EA), eV:	-8.36(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylphenyl)-1-oxopropan-2-yl] benzoate

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(S3)C4=CSC(=N4)C

DOS

IR

Vibrations