Geometry & MOs

Info

ID:	337523
PubChem CID:	127258146
Reduced:	PO4C26H37 (1)
Stoich.:	AB4C26D37 (1)
Weight, g/mol:	431.18616
ΔH_f, kcal/mol:	-246.95
Dipole, Da:	4.18
IP(EA), eV:	-8.55(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[benzyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]oxy-3-nitrobenzene

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(C2=C(C=C(C=C2C)C)C)OC3=CC=C(C=C3)OC)C(C)C

DOS

IR

Vibrations