Geometry & MOs

Info

ID:	60207
PubChem CID:	26675903
Reduced:	FSN2O5H23C24 (1)
Stoich.:	ABC2D5E23F24 (1)
Weight, g/mol:	498.146072
ΔH_f, kcal/mol:	-190.9
Dipole, Da:	10.21
IP(EA), eV:	-9.04(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]-(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations