Geometry & MOs

Info

ID:	448527
PubChem CID:	135291619
Reduced:	Cl2P2S2F3N5O9C18H26 (1)
Stoich.:	A2B2C2D3E5F9G18H26 (1)
Weight, g/mol:	344.17763
ΔH_f, kcal/mol:	-628.47
Dipole, Da:	7.39
IP(EA), eV:	-8.84(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-[3-[(3-methylphenyl)methyl]phenoxy]ethyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(P(=O)(O)OP(=O)(O)OCC1C([C@H](C(O1)N2C=NC3=C(N=C(N=C32)SCCC(F)(F)F)NCCSC)O)O)(Cl)Cl

DOS

IR

Vibrations