Geometry & MOs

Info

ID:	147883
PubChem CID:	53787542
Reduced:	FSO2N3C24H28 (1)
Stoich.:	ABC2D3E24F28 (1)
Weight, g/mol:	411.480401
ΔH_f, kcal/mol:	-66.09
Dipole, Da:	2.59
IP(EA), eV:	-8.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloicosane;N,N-dimethylmethanamine;2,2-dimethylpropane

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1NC(=O)CCC2)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

DOS

IR

Vibrations