Geometry & MOs

Info

ID:	431128
PubChem CID:	135171198
Reduced:	SN3O5C28H35 (1)
Stoich.:	AB3C5D28E35 (1)
Weight, g/mol:	351.114044
ΔH_f, kcal/mol:	-182.64
Dipole, Da:	7.31
IP(EA), eV:	-8.83(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-benzyl-N-(1,1,5-trioxo-2H-thiopyran-3-yl)carbamate

Drug info:

PubChemData

Smile

CCN(C1CC(CS(=O)(=O)C1)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations