Geometry & MOs

Info

ID:	60187
PubChem CID:	26675868
Reduced:	SN2O4H20C23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	452.140593
ΔH_f, kcal/mol:	-67.37
Dipole, Da:	9.71
IP(EA), eV:	-9.23(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(N-methylanilino)-2-oxoethyl]-(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations