Geometry & MOs

Info

ID:	384706
PubChem CID:	134977514
Reduced:	OPN2S2C18H21 (1)
Stoich.:	ABC2D2E18F21 (1)
Weight, g/mol:	454.190911
ΔH_f, kcal/mol:	-51.92
Dipole, Da:	4.37
IP(EA), eV:	-8.79(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[butyl(ethoxy)phosphoryl]oxymethyl]-3-(4-phenylmethoxyphenoxy)benzene

Drug info:

PubChemData

Smile

CC1CN=C(S1)N(C2=CC=C(C=C2)C)P(=S)(C)OC3=CC=CC=C3

DOS

IR

Vibrations