Geometry & MOs

Info

ID:	409900
PubChem CID:	135082687
Reduced:	AlN2O4C46H47 (1)
Stoich.:	AB2C4D46E47 (1)
Weight, g/mol:	365.156875
ΔH_f, kcal/mol:	-107.31
Dipole, Da:	3.01
IP(EA), eV:	-8.55(0.01)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(N,N'-dicyclohexylcarbamimidoyl)oxy-dimethyl-lambda4-sulfanyl] sulfite

Drug info:

PubChemData

Smile

C1[C@@H](O[Al](O[C@H](CN1CC2=CC=CC=C2)C3=CC=CC=C3)O[C@H](CN(CC4=CC=CC=C4)C[C@H](C5=CC=CC=C5)O)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations