Geometry & MOs

Info

ID:	232439
PubChem CID:	87576185
Reduced:	SN4H18C20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	494.085781
ΔH_f, kcal/mol:	100.6
Dipole, Da:	4.12
IP(EA), eV:	-8.25(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[3-(3-methylsulfonyloxyphenyl)phenyl]phenyl]phenyl] methanesulfonate

Drug info:

PubChemData

Smile

CC1=CN=C(N1)C2=CC=C(C=C2)NC3=NC(=C(S3)C)C4=CC=CC=C4

DOS

IR

Vibrations