Geometry & MOs

Info

ID:	337167
PubChem CID:	127256732
Reduced:	NSO3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	362.047868
ΔH_f, kcal/mol:	-88.9
Dipole, Da:	7.01
IP(EA), eV:	-9.89(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,11-dimethyl-7,14,15-trithia-3,11-diazadispiro[5.1.58.26]pentadecane;dihydrochloride

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C=C1CC[C@@H]3C2(C(=O)C[C@]4([C@H]3CCC4=O)C)SC#N

DOS

IR

Vibrations