Geometry & MOs

Info

ID:	433703
PubChem CID:	135173843
Reduced:	ClO3N7C46H48 (1)
Stoich.:	AB3C7D46E48 (1)
Weight, g/mol:	246.048129
ΔH_f, kcal/mol:	70.7
Dipole, Da:	3.3
IP(EA), eV:	-8.14(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-chloroethoxy)ethoxysulfanyl]-4-methylbenzene

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=C(C(=CC=C2)NC3=NC=CC4=CC(=CN=C43)CN5CCCC5)C)COC6=C(C=C(C(=C6)OCC7=CC(=CN=C7)N=O)CN8CCCCC8)Cl

DOS

IR

Vibrations