Geometry & MOs

Info

ID:	176866
PubChem CID:	76106813
Reduced:	Cl2S4O20N34C145H194 (1)
Stoich.:	A2B4C20D34E145F194 (1)
Weight, g/mol:	419.21303
ΔH_f, kcal/mol:	-387.88
Dipole, Da:	12.4
IP(EA), eV:	-8.5(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-octoxy-2-(4-propoxyphenyl)sulfinamoyloxybenzene

Drug info:

Smile

CCCCCCCCOC1=CC=CC=C1OS(=O)NC2=CC=C(C=C2)OCCC.CCCCC(CC)COCCCNC(=O)NNC1=C(C(=NC=N1)Cl)Cl.CCC(C)(C)C1=CC(=C(C=C1)OCCCNC(=O)NNC2=C(C=NN2C3=CC=CC(=C3)NS(=O)(=O)C)C#N)C(C)(C)CC.CC1=CC(=C(C=C1)OCCCCNC(=O)NNC2=NC(=CN=N2)C)C.CC1=CC(=C(C=C1)OCCCNC(=O)NNC2=C(C(=C(S2)C)C)C#N)C.CC1=CC(=C(C=C1)OCCCNC(=O)NNC2=NC=C(C=C2C)C3=NC4=C(O3)C=CN=C4)C.CC1=CC=CC=C1NC(=O)NNC2=C(C=C(N2C)[N+]#[C-])S(=O)(=O)C

DOS

IR

Vibrations