Geometry & MOs

Info

ID:	148607
PubChem CID:	53788275
Reduced:	N2O6C29H34 (1)
Stoich.:	A2B6C29D34 (1)
Weight, g/mol:	314.107181
ΔH_f, kcal/mol:	-169.57
Dipole, Da:	5.91
IP(EA), eV:	-9.83(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-phosphorosooxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@H]([C@H](C1=C(C1=O)C2=CC=CC=C2)O)C(C)C)NC(=O)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations