Geometry & MOs

Info

ID:	166809
PubChem CID:	74735940
Reduced:	OS2N4C17H34 (1)
Stoich.:	AB2C4D17E34 (1)
Weight, g/mol:	396.201754
ΔH_f, kcal/mol:	-54.95
Dipole, Da:	4.87
IP(EA), eV:	-8.35(0.36)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-3-[[5-(thiomorpholin-4-ium-4-ylmethyl)-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]thiourea

Drug info:

PubChemData

Smile

COCCNC(=S)NCC1CC2CC[NH+]1CC2C[NH+]3CCSCC3

DOS

IR

Vibrations