Geometry & MOs

Info

ID:	440311
PubChem CID:	135230258
Reduced:	FSN7H12C15 (1)
Stoich.:	ABC7D12E15 (1)
Weight, g/mol:	440.174293
ΔH_f, kcal/mol:	130.41
Dipole, Da:	3.01
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[6-[[1-(N-diazenyl-N-methylcarbamimidoyl)benzimidazol-2-yl]sulfanylmethyl]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations