Geometry & MOs

Info

ID:	165655
PubChem CID:	74579877
Reduced:	SN3O3H16C19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	365.179993
ΔH_f, kcal/mol:	68.24
Dipole, Da:	5.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.473383
Charge, e:	1

Chem-info

IUPAC name:

[(2,4-diphenyl-3-azoniabicyclo[3.3.1]nonan-9-ylidene)amino]thiourea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=NNC2=NC(=O)C(S2)CC(=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations