Geometry & MOs

Info

ID:

160126

PubChem CID:

57304818

Reduced:

NSO5C16H17 (2)

Stoich.:

ABC5D16E17 (2)

Weight, g/mol:

339.145559

ΔHf, kcal/mol:

-312.03

Dipole, Da:

5.34

IP(EA), eV:

 -9.39(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[hydroxy-(5-methyl-2-propan-2-ylcyclohexyl)sulfanylphosphinothioyl]oxy-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CS(=O)(=O)OC[C@@H]1[C@@H](C(=O)N1C(=C([C@@H]2CCCO2)OS(=O)(=O)C)C(=O)O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations