Geometry & MOs

Info

ID:	189292
PubChem CID:	77839309
Reduced:	SN5O10C16H19 (1)
Stoich.:	AB5C10D16E19 (1)
Weight, g/mol:	386.354866
ΔH_f, kcal/mol:	-387.98
Dipole, Da:	3.72
IP(EA), eV:	-9.06(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(4-ethylcyclohexyl)-13-pentyldispiro[5.1.58.16]tetradecan-14-one

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C(=S)N2)C3C(C(C(O3)C(CC(=O)O)O)(CC(=O)O)O)(CC(=O)O)O)N

DOS

IR

Vibrations