Geometry & MOs

Info

ID:	60208
PubChem CID:	26675905
Reduced:	SN2O7C25H26 (1)
Stoich.:	AB2C7D25E26 (1)
Weight, g/mol:	480.171893
ΔH_f, kcal/mol:	-218.04
Dipole, Da:	5.08
IP(EA), eV:	-8.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=C(C=C2)OC)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations