Geometry & MOs

Info

ID:	25209
PubChem CID:	620965
Reduced:	BO5C27H31 (1)
Stoich.:	AB5C27D31 (1)
Weight, g/mol:	351.08639
ΔH_f, kcal/mol:	-256.05
Dipole, Da:	7.36
IP(EA), eV:	-9.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-N'-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)carbamimidothioic acid

Drug info:

PubChemData

Smile

B1(OCC(=O)C2(O1)CCC3C2(CC(=O)C4C3CCC5=CC(=O)CCC45C)C)C6=CC=CC=C6

DOS

IR

Vibrations