Geometry & MOs

Info

ID:	142489
PubChem CID:	53043061
Reduced:	S2N4O5C23H26 (1)
Stoich.:	A2B4C5D23E26 (1)
Weight, g/mol:	385.157246
ΔH_f, kcal/mol:	-79.44
Dipole, Da:	7.55
IP(EA), eV:	-8.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-(5-oxo-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraen-4-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C4=NOC(=N4)C5CCC5

DOS

IR

Vibrations