Geometry & MOs

Info

ID:	289903
PubChem CID:	104385325
Reduced:	SO2N3C9H17 (1)
Stoich.:	AB2C3D9E17 (1)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	-97.23
Dipole, Da:	8.3
IP(EA), eV:	-8.63(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-carbamothioyl-N-[2-(diethylamino)-2-oxoethyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CC(=S)N

DOS

IR

Vibrations