Geometry & MOs

Info

ID:	159996
PubChem CID:	57304355
Reduced:	NO3C21H28 (2)
Stoich.:	AB3C21D28 (2)
Weight, g/mol:	304.043712
ΔH_f, kcal/mol:	-232.29
Dipole, Da:	2.15
IP(EA), eV:	-8.5(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(chlorocarbamothioyl)-N-(2-methylphenyl)benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCC23CCCC(C2C4=CC=CC=C4O3)OC(=O)C(=O)OC5CCCC6(C5C7=CC=CC=C7O6)CCCN8CCCCC8

DOS

IR

Vibrations