Geometry & MOs

Info

ID:	431195
PubChem CID:	135171265
Reduced:	SO2N6C24H28 (1)
Stoich.:	AB2C6D24E28 (1)
Weight, g/mol:	402.386166
ΔH_f, kcal/mol:	-8.5
Dipole, Da:	12.54
IP(EA), eV:	-8.01(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-3-(2-methyl-2-octyldodecyl)benzene

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC3=C(C=C2)N/C(=C/4\C(=C5C=CSC5=NC4=O)N[C@@H]6CC[C@@H](C6)O)/N3

DOS

IR

Vibrations