Geometry & MOs

Info

ID:	121410
PubChem CID:	50767051
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	378.124943
ΔH_f, kcal/mol:	-130.52
Dipole, Da:	11.64
IP(EA), eV:	-8.65(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(diethylamino)-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCC(CC3)N4CCCCC4

DOS

IR

Vibrations