Geometry & MOs

Info

ID:	149626
PubChem CID:	53789300
Reduced:	OSN3C21H37 (1)
Stoich.:	ABC3D21E37 (1)
Weight, g/mol:	538.111996
ΔH_f, kcal/mol:	-56.44
Dipole, Da:	3.0
IP(EA), eV:	-8.31(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[4-(2-methoxyethoxy)phenyl]sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(C1SC3CC(N(C3)C)C(C)C(=C)NC)C)C(C)C

DOS

IR

Vibrations