Geometry & MOs

Info

ID:	53820
PubChem CID:	14718049
Reduced:	OSN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	286.113984
ΔH_f, kcal/mol:	-0.39
Dipole, Da:	3.91
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(diethylcarbamothioyl)naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=S)NC(=O)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations