Geometry & MOs

Info

ID:	125776
PubChem CID:	50937826
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	360.247344
ΔH_f, kcal/mol:	-19.61
Dipole, Da:	4.89
IP(EA), eV:	-8.36(0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-3-[(1R,5R)-9-(2-methylpropyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=S)NC2C[C@H]3CC[C@H](C2)N3CC4=CC=CO4

DOS

IR

Vibrations