Geometry & MOs

Info

ID:	45647
PubChem CID:	10516032
Reduced:	SO5C12H12 (1)
Stoich.:	AB5C12D12 (1)
Weight, g/mol:	268.053115
ΔH_f, kcal/mol:	-170.56
Dipole, Da:	12.38
IP(EA), eV:	-9.64(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-15-ylhydrazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC2)C

DOS

IR

Vibrations