Geometry & MOs

Info

ID:	123470
PubChem CID:	50849140
Reduced:	O3N4C24H32 (1)
Stoich.:	A3B4C24D32 (1)
Weight, g/mol:	271.087829
ΔH_f, kcal/mol:	-92.74
Dipole, Da:	2.94
IP(EA), eV:	-9.11(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[ethylsulfonyl(propyl)amino]benzoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC(CC2)C3=CC4=C(C=NN4C=C3)C(=O)N5CCOCC5

DOS

IR

Vibrations