Geometry & MOs

Info

ID:	68895
PubChem CID:	46511421
Reduced:	OSN4H20C24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	450.124943
ΔH_f, kcal/mol:	137.76
Dipole, Da:	3.73
IP(EA), eV:	-8.72(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-cyanophenyl)phenyl]methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate

Drug info:

PubChemData

Smile

C1CC1C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)C5=CC=CC=C5C#N

DOS

IR

Vibrations