Geometry & MOs

Info

ID:	151470
PubChem CID:	53812455
Reduced:	ON2C11H18 (1)
Stoich.:	AB2C11D18 (1)
Weight, g/mol:	299.098
ΔH_f, kcal/mol:	-6.63
Dipole, Da:	1.79
IP(EA), eV:	-8.76(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(2-benzoyl-4-methylphenyl) N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

CC(C)(C#C)NC(=O)[C@@H]1CCCN1C

DOS

IR

Vibrations