Geometry & MOs

Info

ID:	134367
PubChem CID:	51686310
Reduced:	N2S2O4C21H26 (1)
Stoich.:	A2B2C4D21E26 (1)
Weight, g/mol:	319.151847
ΔH_f, kcal/mol:	-115.27
Dipole, Da:	1.11
IP(EA), eV:	-9.22(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-fluorophenyl)thiourea

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC[C@H](C3)C4=CC=CC=C4

DOS

IR

Vibrations