Geometry & MOs

Info

ID:	440325
PubChem CID:	135230272
Reduced:	ClSN7H12C15 (1)
Stoich.:	ABC7D12E15 (1)
Weight, g/mol:	434.07025
ΔH_f, kcal/mol:	175.86
Dipole, Da:	3.68
IP(EA), eV:	-9.33(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[6-(iodomethyl)pyridin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=C(C(=CC=C3)Cl)N=C2SCC4=CC=CC=N4

DOS

IR

Vibrations