Geometry & MOs

Info

ID:	60209
PubChem CID:	26675906
Reduced:	SN2O5C26H28 (1)
Stoich.:	AB2C5D26E28 (1)
Weight, g/mol:	390.124943
ΔH_f, kcal/mol:	-159.36
Dipole, Da:	8.66
IP(EA), eV:	-8.78(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)CN(C2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C)C

DOS

IR

Vibrations