Geometry & MOs

Info

ID:	194185
PubChem CID:	78495793
Reduced:	BrSN3O3C14H16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	369.136493
ΔH_f, kcal/mol:	-49.47
Dipole, Da:	6.51
IP(EA), eV:	-9.35(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(COC)NC(=O)CSC1=NN=C(O1)C2=CC(=CC=C2)Br

DOS

IR

Vibrations