Geometry & MOs

Info

ID:	382915
PubChem CID:	134974354
Reduced:	S2O6C14H19 (1)
Stoich.:	A2B6C14D19 (1)
Weight, g/mol:	471.280485
ΔH_f, kcal/mol:	-230.44
Dipole, Da:	2.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.844790
Charge, e:	0

Chem-info

IUPAC name:

benzyl 12-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxo-11-azatricyclo[7.2.2.02,7]tridecane-11-carboxylate

Drug info:

PubChemData

Smile

COC(=[OH+])CCSC1=C(C(=CC(=C1)O)SCCC(=O)OC)O

DOS

IR

Vibrations