Geometry & MOs

Info

ID:	168439
PubChem CID:	74967816
Reduced:	ClSN4O4C20H29 (1)
Stoich.:	ABC4D4E20F29 (1)
Weight, g/mol:	377.055517
ΔH_f, kcal/mol:	-145.41
Dipole, Da:	7.96
IP(EA), eV:	-8.28(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	-3

Chem-info

IUPAC name:

[(3-methyl-6-phenylmethoxyhex-2-enoxy)-oxidophosphoryl] phosphate

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CC4=[N+](C=CN4C)C)C(=O)O)C(C)O.[Cl-]

DOS

IR

Vibrations