Geometry & MOs

Info

ID:	29365
PubChem CID:	833377
Reduced:	OSN2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	304.02039
ΔH_f, kcal/mol:	18.48
Dipole, Da:	8.63
IP(EA), eV:	-8.03(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-(diethylcarbamothioyl)benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations