Geometry & MOs

Info

ID:	385052
PubChem CID:	134978215
Reduced:	NPC8O8H12 (2)
Stoich.:	ABC8D8E12 (2)
Weight, g/mol:	354.078774
ΔH_f, kcal/mol:	-693.57
Dipole, Da:	4.62
IP(EA), eV:	-9.8(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 1-chloroethyl (2,6-dimethylphenyl) phosphate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

DOS

IR

Vibrations