Geometry & MOs

Info

ID:	324267
PubChem CID:	126677271
Reduced:	ClPN3O10C23H31 (1)
Stoich.:	ABC3D10E23F31 (1)
Weight, g/mol:	267.117035
ΔH_f, kcal/mol:	-482.52
Dipole, Da:	8.43
IP(EA), eV:	-9.82(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[propan-2-yloxy-(4-sulfanylpiperazin-1-yl)phosphoryl]methanamine

Drug info:

PubChemData

Smile

C[C@@H](COC(=O)C(C)COC)NP(=O)(OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=O)NC2=O)Cl)O)OC3=CC=CC=C3

DOS

IR

Vibrations