Geometry & MOs

Info

ID:	132870
PubChem CID:	51435593
Reduced:	SN4O4H18C20 (1)
Stoich.:	AB4C4D18E20 (1)
Weight, g/mol:	406.318201
ΔH_f, kcal/mol:	18.97
Dipole, Da:	3.28
IP(EA), eV:	-8.59(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-amino-N-cyclohexyl-13-methyl-2-oxo-7-propyl-1,9-diaza-7-azoniatricyclo[8.4.0.03,8]tetradecane-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3C(=NN=C3OC(=C2C#N)N)C4=CC=CS4

DOS

IR

Vibrations