Geometry & MOs

Info

ID:	228412
PubChem CID:	87564302
Reduced:	ON2C17H30 (1)
Stoich.:	AB2C17D30 (1)
Weight, g/mol:	446.997796
ΔH_f, kcal/mol:	-61.2
Dipole, Da:	4.46
IP(EA), eV:	-8.58(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-carbamoylphenyl)carbamothioyl]-3,5-dichloro-4-ethoxybenzamide;hydrochloride

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCCCCCC=CC=CC(=O)N

DOS

IR

Vibrations