Geometry & MOs

Info

ID:	32495
PubChem CID:	7839319
Reduced:	SN2O2H24C25 (1)
Stoich.:	AB2C2D24E25 (1)
Weight, g/mol:	402.146724
ΔH_f, kcal/mol:	-7.96
Dipole, Da:	3.14
IP(EA), eV:	-8.91(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

DOS

IR

Vibrations